SCHEMBL4365633

SCHEMBL4365633

CN1CCC(COc2cc(N=C=S)ccc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.41
KDR P35968 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ABL1 P00519 4/20 0.41
ABL2 P42684 4/20 0.41
EGFR P00533 6/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CSK P41240 1/20 0.36
TEK Q02763 1/20 0.36
CXCR1 P25024 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
SCHEMBL4363195 0.87 HRH3 (0.40)
SCHEMBL4369157 0.81 CHRNB4 (0.48)
SCHEMBL4372620 0.81 CSF1R (0.45)
SCHEMBL13861972 0.78 POLB (0.48) SRCKDRHSP90AA1HSP90AB1ABL1
SCHEMBL3514417 0.77 CYP1A2 (0.44) SRCKDRHSP90AA1HSP90AB1ABL1
SCHEMBL4371987 0.77 SRC (0.43) SRCKDRHSP90AA1HSP90AB1ABL1
SCHEMBL13861941 0.77 CHEK1 (0.37)
SCHEMBL3293543 0.75 HSP90AA1 (0.48) SRCKDRHSP90AA1HSP90AB1EGFR
SCHEMBL13861954 0.74 TSHR (0.53) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13861940 0.74 NPC1 (0.40) KDREGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS SRC 1385/4885KDR 83/4885HSP90AA1 1608/4885

“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.