Sugi Predict

Sugi Predict / Compounds / SCHEMBL4720558

SCHEMBL4720558

SCHEMBL4720558

[c]1c(-c2cccs2)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ NPC1 O15118 7/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ RPS6KB2 Q9UBS0 2/20 0.41
▸ HPGD P15428 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ATM Q13315 1/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL4723716 0.84 RPS6KB2 (0.45) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL239122 0.77 CYP2A6 (0.37) ALDH1A1HSD17B10HPGDTDP1CYP1A2
SCHEMBL4721859 0.70 RAB9A (0.49) KDM4ERAB9ANPC1L3MBTL1MEN1
SCHEMBL8096268 0.70 KDM4E (0.54) KDM4ERAB9AALDH1A1NPC1HSD17B10
Naphthalene SCHEMBL25428110 0.70 RPS6KB2 (0.56) KDM4ERAB9AALDH1A1NPC1HSD17B10
SCHEMBL79020 0.70 ALDH1A1 (0.35) RAB9AALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28957335 0.69 CYP2A6 (0.44) NPC1MAOBCYP3A4CYP2C9CYP2C19
SCHEMBL467414 0.68 — —
Bromide SCHEMBL30467088 0.67 L3MBTL1 (0.55) KDM4ERAB9AALDH1A1NPC1HSD17B10
Bromide SCHEMBL29519314 0.67 L3MBTL1 (0.55) KDM4ERAB9AALDH1A1NPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1456554-A Poly (5-aminoquinoxaline) and its use NISSAN CHEMICAL IND LTD (JP) 2003-11-19 — — CN claimed
EP-0142190-B1 1-(2-ARYL-2-HALO-1-ETHENYL)-1H-AZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-21 — — EP claimed
EP-0224998-B1 AZOLE-SUBSTITUTED OXATHIOLANES AS PESTICIDES AND PLANT GROWTH REGULATORS UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-01-18 — — EP claimed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 — — CN disclosed
CN-100503581-C Poly (5-aminoquinoxaline) and its use NISSAN CHEMICAL IND LTD (JP) 2009-06-24 — — CN disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 — — US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 — — US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 — — US disclosed
EP-1896483-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-03-12 — — EP disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 — — EP disclosed
EP-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 — — EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 — — WO disclosed
CN-1134431-C 2,4-diaminopyrimidine derivatives as dopamine D4 receptor antagonists ��˹��ŵ�� 2004-01-14 — — CN disclosed
CN-1456554-A Poly (5-aminoquinoxaline) and its use NISSAN CHEMICAL IND LTD (JP) 2003-11-19 — — CN disclosed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 — — EP disclosed
CN-1218466-A 2,4-diaminopyrimidine derivatives as dopamine d4 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 1999-06-02 — — CN disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 — — US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 — — US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 — — EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 — — 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 (3 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 KDM4E 2584/4885RAB9A 2943/4885ALDH1A1 622/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 KDM4E 2325/4885RAB9A 2275/4885ALDH1A1 1204/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 KDM4E 2775/4885RAB9A 2647/4885ALDH1A1 849/4885

“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.