SCHEMBL4614810

SCHEMBL4614810

Cc1cnc(-c2cc(N)ccc2N)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.42
SRC P12931 1/20 0.38
CDK2 P24941 1/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38
CASP1 P29466 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HDAC4 P56524 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PDE10A Q9Y233 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32

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
SCHEMBL1207018 0.80 ALDH1A1 (0.47) NOS1SMN1; SMN2HDAC4ALDH1A1ADORA2A
SCHEMBL4612282 0.79 ALDH1A1 (0.33) CDK2CASP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6316444 0.74 PTPN1 (0.50) CASP1SMN1; SMN2HDAC4ALDH1A1MAPT
SCHEMBL31219241 0.74 NOS1 (0.48) NOS1SRCCDK2ZAP70SYK
SCHEMBL4614202 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTNPC1GAA
SCHEMBL7807529 0.73 ALDH1A1 (0.43) CASP1SMN1; SMN2PDE10AALDH1A1MAPT
SCHEMBL27425485 0.72 MAP4K4 (0.50) NOS1CASP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4612242 0.72 NOS1 (0.39) NOS1CASP1SMN1; SMN2PDE10AALDH1A1
Hydrochloric Acid SCHEMBL7806014 0.71 ALDH1A1 (0.42) CASP1SMN1; SMN2PDE10AALDH1A1MAPT
SCHEMBL996916 0.71 FEN1 (0.44) NOS1SRCZAP70SYKALDH1A1

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
EP-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP disclosed
US-6875873-B2 1,4-Diamino-2-(thiazol-2-yl)benzene derivatives, and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-04-05 US disclosed
US-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 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 (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-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds KRT18, DSP, TUBB1 NOS1 654/4885SRC 3328/4885CDK2 706/4885

“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.