SCHEMBL1763855

SCHEMBL1763855

B(Oc1cccc2cccnc12)Oc1cccc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
RAB9A P51151 5/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MMP2 P08253 2/20 0.52
TSHR P16473 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
MMP8 P22894 1/20 0.52
CCR1 P32246 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL10051519 0.86 KDM4E (0.54) KDM4ERAB9AMAPTLMNASMN1; SMN2
SCHEMBL12691127 0.85 LMNA (0.50) KDM4ERAB9AMAPTLMNASMN1; SMN2
SCHEMBL17924042 0.82 MAPT (0.59) KDM4ERAB9AMAPTLMNASMN1; SMN2
SCHEMBL4386263 0.81 KDM4E (0.72) KDM4ERAB9AMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27496748 0.79 KDM4E (0.59) KDM4ERAB9AMAPTLMNASMN1; SMN2
SCHEMBL6750955 0.78 KDM4E (0.58) KDM4ERAB9AMAPTLMNASMN1; SMN2
SCHEMBL6516869 0.78 KDM4E (0.58) KDM4ERAB9AMAPTLMNASMN1; SMN2
SCHEMBL1878470 0.78 KDM4E (0.58) KDM4ERAB9AMAPTLMNASMN1; SMN2
SCHEMBL21753772 0.78 KDM4E (0.58) KDM4ERAB9AMAPTLMNASMN1; SMN2
SCHEMBL22772422 0.78 KDM4E (0.58) KDM4ERAB9AMAPTLMNASMN1; 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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286986-B1 QUINOLINYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-02-23 EP claimed
US-6753335-B2 DELTA AGONISTS FOR NERVOUS SYSTEM PAIN ASTRAZENECA AB (SE) 2004-06-22 US claimed
US-20030199548-A1 Quinolinyl-piperidin-4-ylidene-methyl-benzamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2003-10-23 US claimed
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 US disclosed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 EP disclosed
WO-2021023813-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-02-11 WO disclosed
CN-110248932-A Pyrimidine tricycloalkenone derivatives for ROR γ inhibition and other uses 里亚塔医药公司 2019-09-17 CN disclosed
US-9951272-B2 Method of making semiconductor nanocrystals SAMSUNG RESEARCH AMERICA, INC. (US) 2018-04-24 US disclosed
US-9583715-B2 Anthracene-based compounds and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
CN-106279101-A Benzopyrazoles bipyridyliums compound, comprise the medical composition and its use of this compounds 中国科学院上海药物研究所 2017-01-04 CN disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2004-06-10 US disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-20030199548-A1 Quinolinyl-piperidin-4-ylidene-methyl-benzamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2003-10-23 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
EP-1286986-A1 QUINOLINYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-03-05 EP disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
WO-2001074806-A1 QUINOLINYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-10-11 WO disclosed

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

For each of this compound's patents that has machine-readable text (6 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-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 KDM4E 1380/4885RAB9A 3288/4885MAPT 3941/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA KDM4E 1105/4885RAB9A 2878/4885MAPT 3538/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KDM4E 761/4885RAB9A 2456/4885MAPT 3386/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 KDM4E 1025/4885RAB9A 3018/4885MAPT 2881/4885
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS NPFFR2, NPFFR1, OPRL1 KDM4E 3329/4885RAB9A 3738/4885MAPT 3231/4885
US-20030199548-A1 Quinolinyl-piperidin-4-ylidene-methyl-benzamide derivatives for the treatment of pain OPRK1, OPRM1, OPRD1 KDM4E 2698/4885RAB9A 2653/4885MAPT 4125/4885

“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.