SCHEMBL6629397

SCHEMBL6629397

Cc1ccncc1-c1nc(-c2cccc(Br)c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.55
RAB9A P51151 7/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
HK1 P19367 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
KDM4E B2RXH2 6/20 0.48
NPC1 O15118 5/20 0.48
LMNA P02545 2/20 0.48
CYP17A1 P05093 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AXL P30530 1/20 0.47
PBRM1 Q86U86 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL6646582 0.85 CYP19A1 (0.60) CYP19A1RAB9AMAPTKDM4ENPC1
SCHEMBL6650456 0.85 RAB9A (0.52) CYP19A1RAB9AMAPTALDH1A1HPGD
SCHEMBL6647410 0.84 RAB9A (0.49) CYP19A1RAB9AMAPTALDH1A1HPGD
SCHEMBL6646066 0.83 RAB9A (0.48) CYP19A1RAB9AMAPTALDH1A1HPGD
SCHEMBL3821580 0.82 KDM4E (0.61) CYP19A1RAB9AALDH1A1KDM4ENPC1
SCHEMBL3814224 0.81 CYP19A1 (0.52) CYP19A1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3814041 0.81 CYP19A1 (0.55) CYP19A1RAB9AMAPTALDH1A1KDM4E
SCHEMBL6648628 0.81 CYP19A1 (0.60) CYP19A1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3822069 0.81 CYP19A1 (0.54) CYP19A1RAB9AMAPTKDM4ENPC1
SCHEMBL6674230 0.80 CYP19A1 (0.50) CYP19A1RAB9AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 (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-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 CYP19A1 7/4885RAB9A 4449/4885MAPT 1946/4885

“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.