Sugi Predict

Sugi Predict / Compounds / SCHEMBL13169604

SCHEMBL13169604

SCHEMBL13169604

Cc1c2ccccc2cc2cccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL16175965 0.73 ALDH1A1 (0.47) CYP1A2ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL2971318 0.71 KDM4E (0.47) CYP1A2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL13169606 0.69 PTPN1 (0.42) CYP1A2CYP2A6ALDH1A1HSD17B10HIF1A
SCHEMBL13169658 0.69 KDM4E (0.36) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL13169662 0.69 KDM4E (0.33) CYP1A2CYP2A6ALDH1A1HSD17B10CYP1B1
SCHEMBL10123565 0.68 POLB (0.42) CYP1A2ALDH1A1KDM4EGAAMAPT
SCHEMBL64923 0.67 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL30307422 0.67 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL26168101 0.66 MAPT (0.34) CYP1A2ALDH1A1KDM4EGAAMAPT
SCHEMBL22792389 0.65 MAPT (0.60) CYP1A2ALDH1A1KDM4EHPGDGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 — — EP disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 — — US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 — — US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 — — US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 — — US 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 (1 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A CYP1A2 2022/4885CYP2A6 2409/4885ALDH1A1 2838/4885

“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.