SCHEMBL4501102

SCHEMBL4501102

O=C(O)Nc1cc2ccc(Cl)cc2n2nnnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.49
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TNKS O95271 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMO O15229 3/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL13755949 0.86 CUL4A (0.46) CUL4ARXFP1MAPTALDH1A1KDM4E
SCHEMBL4495090 0.86 CUL4A (0.46) CUL4ARXFP1MAPTALDH1A1KDM4E
SCHEMBL13755950 0.85 MAPT (0.43) CUL4AMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL5460739 0.81 FLT1 (0.43) CUL4AMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL4502338 0.80 MAPT (0.44) CUL4AMAPTALDH1A1KDM4EHPGD
SCHEMBL4482553 0.80 CUL4A (0.52) CUL4ARXFP1MAPTALDH1A1KDM4E
SCHEMBL13755951 0.79 SMN1; SMN2 (0.45) CUL4AMAPTALDH1A1KDM4ERAB9A
SCHEMBL4499121 0.77 CUL4A (0.49) CUL4ARXFP1MAPTALDH1A1KDM4E
SCHEMBL4498718 0.76 CUL4A (0.51) CUL4ARXFP1MAPTALDH1A1KDM4E
SCHEMBL4511855 0.76 CUL4A (0.48) CUL4ARXFP1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668009-A1 HCV INHIBITORS AND METHODS OF USING THEM Rigel Pharmaceuticals, Inc. (US) 2006-06-14 EP claimed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US claimed
WO-2005030774-A1 HCV INHIBITORS AND METHODS OF USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2005-04-07 WO claimed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 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 (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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 CUL4A 56/4885RXFP1 4583/4885MAPT 4435/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 CUL4A 56/4885RXFP1 4583/4885MAPT 4435/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS CUL4A 99/4885RXFP1 4521/4885MAPT 4179/4885

“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.