SCHEMBL7609688

SCHEMBL7609688

Cc1cc(C)c(-c2csc(C#N)c2N)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
ALOX15 P16050 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
BRCA1 P38398 1/20 0.33
MAPT P10636 2/20 0.32
XBP1 P17861 2/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PRKCZ Q05513 1/20 0.30

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
SCHEMBL2610987 0.74
SCHEMBL7604320 0.72 LCK (0.35) ALDH1A1MEN1KMT2AHSD17B10HPGD
SCHEMBL7979012 0.69 KDM4E (0.46) ALDH1A1MAPTPOLBKDM4E
SCHEMBL627755 0.65
SCHEMBL12679771 0.65 ALDH1A1 (0.35) ALDH1A1MEN1ALOX15KMT2AHSD17B10
SCHEMBL16219593 0.62 RAPGEF4 (0.40) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL27503899 0.62
SCHEMBL6589859 0.62 KDM4E (0.41) ALDH1A1MEN1ALOX15KMT2AHSD17B10
SCHEMBL12679720 0.62 CYP1A2 (0.38) ALDH1A1MEN1ALOX15KMT2AHSD17B10
SCHEMBL12681314 0.61 KDM4E (0.38) ALDH1A1MEN1ALOX15KMT2AHSD17B10

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
US-6469166-B2 Thiophenopyrimidines NEUROCRINE BIOSCIENCES, INC. 2002-10-22 US disclosed
US-20020052362-A1 CRF receptor antagonists; treatment of endocrine, psychiatric and neurologic conditions or illnesses, including stress-related disorders WEBB THOMAS R (US) 2002-05-02 US disclosed
EP-0882051-B1 THIOPHENOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2001-11-07 EP disclosed
US-6255310-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS NEUROCRINE BIOSCIENCES INC. 2001-07-03 US disclosed
EP-0882051-A1 THIOPHENOPYRIMIDINES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-09 EP disclosed
WO-1997029110-A1 THIOPHENOPYRIMIDINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-14 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-20020052362-A1 CRF receptor antagonists; treatment of endocrine, psychiatric and neurologic conditions or illnesses, including stress-related disorders CRHR1, CRHR2, CRH ALDH1A1 1284/4885MEN1 1940/4885ALOX15 1279/4885

“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.