SCHEMBL985188

SCHEMBL985188

NC(=O)c1ccc(C2CC2)c(-c2nnc[nH]2)c1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.38
DHODH Q02127 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
SYK P43405 3/20 0.35
NTRK1 P04629 1/20 0.35
GRM5 P41594 1/20 0.34
CAMKK2 Q96RR4 4/20 0.34
CDC7 O00311 1/20 0.34
TGFBR1 P36897 1/20 0.34
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
BTK Q06187 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 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
SCHEMBL979102 0.84 MEN1 (0.33) PARP1DHODHPARP2SYKNTRK1
SCHEMBL986588 0.82 CSNK1A1 (0.46) PARP1DHODHPARP2GRM5CDC7
SCHEMBL986590 0.80 CSNK1A1 (0.47) PARP1DHODHPARP2GRM5CDC7
SCHEMBL17386563 0.80 PARP1 (0.45) PARP1DHODHPARP2SYKNTRK1
SCHEMBL977785 0.79 PDK2 (0.34) PARP1DHODHPARP2SYKNTRK1
SCHEMBL15410051 0.76 SQOR (0.33) PARP1DHODHPARP2TGFBR1
SCHEMBL20544704 0.75 BTK (0.44) PARP1DHODHPARP2NTRK1GRM5
SCHEMBL978876 0.72 IKBKB (0.33) SYKCAMKK2BTK
SCHEMBL2943452 0.69 GRM5 (0.54) PARP1DHODHPARP2GRM5CDC7
SCHEMBL3978369 0.69 KDM4E (0.43) DHODHALDH1A1PDK2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 PARP1 578/4885DHODH 4761/4885PARP2 1172/4885

“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.