SCHEMBL1959002

SCHEMBL1959002

N#Cc1ccccc1Cn1ccc2nc(-c3ccccc3)nc-2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
DPP4 P27487 2/20 0.37
CREBBP Q92793 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 1/20 0.36
HSD17B10 Q99714 2/20 0.35
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HPGDS O60760 1/20 0.34

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
SCHEMBL1958365 0.80 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2MAPTFLT1KDR
SCHEMBL1961064 0.80 CYP11B1 (0.47) ALDH1A1SMN1; SMN2MAPTFLT1KDR
SCHEMBL1960587 0.80 KDM4A (0.45) ALDH1A1FLT1KDRRAB9AATM
SCHEMBL1958118 0.80 KDR (0.40) CYP19A1ALDH1A1SMN1; SMN2MAPTFLT1
SCHEMBL1959717 0.79 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2HPGDS
SCHEMBL1958985 0.78 POLB (0.50) ALDH1A1MAPTFLT1KDRTSHR
SCHEMBL1411948 0.77 HPGDS (0.54) CYP19A1ALDH1A1SMN1; SMN2MAPTCYP11B1
SCHEMBL1961795 0.76 KCNH2 (0.42) ALDH1A1FLT1KDRDPP4ATM
SCHEMBL1960065 0.76 MEN1 (0.49) ALDH1A1SMN1; SMN2MAPTMAPK1HSD17B10
SCHEMBL1962574 0.76 ALDH1A1 (0.56) CYP19A1ALDH1A1CREBBPMAPK1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
CN-1328279-C virus inhibitor LEUVEN K U RES & DEV (BE) 2007-07-25 CN disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
CN-1678612-A virus inhibitor LEUVEN K U RES & DEV (BE) 2005-10-05 CN disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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 (2 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 CYP19A1 3722/4885ALDH1A1 2022/4885SMN1; SMN2 3179/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CYP19A1 2311/4885ALDH1A1 2105/4885SMN1; SMN2 3260/4885

“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.