SCHEMBL960574

SCHEMBL960574

c1ccc2c(c1)ccc1ncncc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
EGFR P00533 4/20 0.55
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.50
GPR3 P46089 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2A6 P11509 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
HPRT1 P00492 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28483310 0.96 CYP3A4 (0.53) CYP3A4EGFRLMNAMAPTSMN1; SMN2
Phenanthrene SCHEMBL28910107 0.84 EGFR (0.80) CYP3A4EGFRLMNAMAPTSMN1; SMN2
SCHEMBL57892 0.83 EGFR (0.50) CYP3A4EGFRLMNAMAPTSMN1; SMN2
SCHEMBL20657077 0.80 EGFR (0.47) CYP3A4EGFRLMNAMAPTSMN1; SMN2
SCHEMBL30244924 0.80 MAPK10 (0.54) CYP3A4EGFRKDM4EMAPK10
SCHEMBL9836520 0.80 MAPK10 (0.54) CYP3A4EGFRKDM4EMAPK10
SCHEMBL18099784 0.78 EGFR (0.47) CYP3A4EGFRLMNAKDM4EALDH1A1
SCHEMBL8128384 0.78 EGFR (0.53) EGFRLMNAMAPTNPC1RAB9A
SCHEMBL29824178 0.78 EGFR (0.48) CYP3A4EGFRLMNAMAPTSMN1; SMN2
SCHEMBL17691850 0.78 PIK3CD (0.68) CYP3A4EGFRLMNAMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 288 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733659-B1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION GUANGZHOU MAXINOVEL PHARMACEUTICALS CO LTD (CN) 2023-12-20 EP claimed
EP-4069663-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-12-13 EP claimed
US-20220315525-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD (CN) 2022-10-06 US claimed
US-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2022-06-02 US claimed
EP-3356369-B1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING TRIAZINE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO (JP) 2022-05-04 EP claimed
EP-3943083-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2022-01-26 EP claimed
CN-113286788-A Treatment of myopia and other eye disorders using singlet oxygen 加州理工学院 2021-08-20 CN claimed
US-20210061755-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-03-04 US claimed
CN-105531278-B Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2021-01-26 CN claimed
US-10833281-B2 Organic electroluminescence composition, material for organic electroluminescence element, solution of material for organic electroluminescence element, and organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2020-11-10 US claimed
US-20180269407-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING TRIAZINE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2018-09-20 US claimed
EP-3356369-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING TRIAZINE GROUPS FOR ORGANIC LIGHT EMITTING DIODES Idemitsu Kosan Co., Ltd (JP) 2018-08-08 EP claimed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP claimed
EP-1965753-B1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO KGAA (DE) 2013-09-04 EP claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
WO-2010046190-A2 TRICYCLIC ALDEHYDES AND C,H ACIDIC COMPOUNDS HENKEL AG & CO. KGAA (DE) 2010-04-29 WO claimed
EP-1965753-A1 REVERSIBLY CHANGEABLE HAIR COLOR Henkel AG & Co. KGaA (DE) 2008-09-10 EP claimed
WO-2007073922-A1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO. KGAA (DE) 2007-07-05 WO claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10833281-B2 Organic electroluminescence composition, material for organic electroluminescence element, solution of material for organic electroluminescence element, and organic electroluminescence element SLCO4C1, SLCO2A1, SLCO1A2 CYP3A4 1741/4885EGFR 1986/4885LMNA 551/4885
US-20210061755-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION PDCD1, CD274, PDCD1LG2 CYP3A4 198/4885EGFR 557/4885LMNA 2222/4885
US-20180269407-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING TRIAZINE GROUPS FOR ORGANIC LIGHT EMITTING DIODES ALDH1A2, TRPA1, CDK2 CYP3A4 430/4885EGFR 3263/4885LMNA 3476/4885
US-20220315525-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION PDCD1, CD274, PDCD1LG2 CYP3A4 198/4885EGFR 557/4885LMNA 2222/4885
US-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME PDCD1, PDCD1LG2, CD274 CYP3A4 3294/4885EGFR 8/4885LMNA 3485/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.