SCHEMBL6626985

SCHEMBL6626985

Cc1ccncc1-c1nc(-c2ccc(Cl)cc2Cl)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
C1S P09871 2/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
XBP1 P17861 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP17A1 P05093 1/20 0.46
EIF4E P06730 1/20 0.45
CYP19A1 P11511 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
AR P10275 1/20 0.43

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
Hydrochloric Acid SCHEMBL6627345 0.99 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ERAB9ANPC1CRHBP
SCHEMBL6651993 0.84 CYP19A1 (0.59) SMN1; SMN2KDM4ERAB9ANPC1C1S
SCHEMBL6649452 0.84 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ERAB9ANPC1CRHBP
SCHEMBL6650024 0.84 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ERAB9ANPC1CRHBP
SCHEMBL3818666 0.83 CYP19A1 (0.55) SMN1; SMN2KDM4ERAB9ANPC1MAPT
SCHEMBL3814593 0.82 KDM4E (0.66) SMN1; SMN2KDM4ERAB9ANPC1MAPT
SCHEMBL6650025 0.82 C1S (0.47) SMN1; SMN2KDM4ERAB9ANPC1CRHBP
SCHEMBL6646582 0.81 CYP19A1 (0.60) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL6627134 0.79 CYP19A1 (0.65) SMN1; SMN2KDM4ERAB9ANPC1CRHBP
SCHEMBL6649024 0.79 EIF4E (0.64) KDM4ERAB9ANPC1MEN1KMT2A

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 SMN1; SMN2 4305/4885KDM4E 1135/4885RAB9A 4449/4885

“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.