SCHEMBL20544704

SCHEMBL20544704

Cc1c(C(N)=O)ccc(-c2nnc[nH]2)c1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.44
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRM5 P41594 2/20 0.39
PARP1 P09874 1/20 0.38
DHODH Q02127 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CDC7 O00311 1/20 0.36
MAPK1 P28482 1/20 0.35
IKBKB O14920 1/20 0.35
DRD1 P21728 1/20 0.35
CHEK2 O96017 2/20 0.33
NTRK1 P04629 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SQOR Q9Y6N5 1/20 0.33

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
SCHEMBL986590 0.84 CSNK1A1 (0.47) BTKCSNK1A1TYRO3DYRK1BGRM5
SCHEMBL986588 0.81 CSNK1A1 (0.46) BTKCSNK1A1TYRO3DYRK1BGRM5
SCHEMBL955818 0.76 BTK (0.47) BTKCSNK1A1TYRO3DYRK1BNPSR1
SCHEMBL985188 0.75 PARP1 (0.38) BTKCSNK1A1TYRO3DYRK1BGRM5
SCHEMBL15411215 0.74 NPSR1 (0.36) BTKNPSR1RXFP1GRM5PARP1
SCHEMBL29503449 0.73 CSNK1A1 (0.58) BTKCSNK1A1TYRO3DYRK1BGRM5
SCHEMBL28008449 0.73 BTK (0.50) BTKCSNK1A1TYRO3DYRK1BNPSR1
SCHEMBL15408910 0.71 SQOR (0.34) NPSR1RXFP1HTTL3MBTL1SQOR
SCHEMBL30403779 0.71 KDM4E (0.50) BTKMAPK1HTTL3MBTL1
SCHEMBL2476969 0.71 KDM4E (0.50) BTKMAPK1HTTL3MBTL1

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-20180311247-A1 COMBINATION THERAPIES FOR TREATING CANCERS GILEAD SCIENCES, INC. 2018-11-01 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-20180311247-A1 COMBINATION THERAPIES FOR TREATING CANCERS BRD4, JAK2, JAK1 BTK 6/4885CSNK1A1 1100/4885TYRO3 728/4885

“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.