SCHEMBL3709344

SCHEMBL3709344

Cc1c(N)cccc1C(=O)c1c[nH]c2ncc(-c3cccnc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.53
NTRK1 P04629 1/20 0.53
PIK3CA P42336 1/20 0.53
NEK1 Q96PY6 2/20 0.52
BRD4 O60885 1/20 0.52
AAK1 Q2M2I8 4/20 0.48
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
AXL P30530 2/20 0.48
PDPK1 O15530 1/20 0.47
PLCG1 P19174 1/20 0.46
KIT P10721 1/20 0.45
NR4A2 P43354 1/20 0.45
PAK1 Q13153 4/20 0.44
PKN1 Q16512 1/20 0.44

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
SCHEMBL3709343 0.90 NEK1 (0.52) DYRK1ANTRK1PIK3CANEK1BRD4
SCHEMBL454311 0.90 NEK1 (0.53) DYRK1ANTRK1PIK3CANEK1BRD4
SCHEMBL3707429 0.89 AXL (0.61) DYRK1ANTRK1AAK1CDK2AXL
SCHEMBL3506503 0.88 DYRK1A (0.53) DYRK1ANTRK1PIK3CANEK1BRD4
SCHEMBL28770490 0.87 NEK1 (0.58) DYRK1ANTRK1PIK3CANEK1BRD4
SCHEMBL858474 0.85 PAK1 (0.58) DYRK1ANTRK1PIK3CANEK1BRD4
SCHEMBL299545 0.84 CYP2C9 (0.48) DYRK1ANTRK1PIK3CANEK1BRD4
SCHEMBL413484 0.83 NEK1 (0.55) DYRK1ANTRK1PIK3CANEK1BRD4
SCHEMBL3506502 0.82 DYRK1A (0.51) DYRK1ANTRK1PIK3CANEK1BRD4
SCHEMBL3699186 0.81 NTRK1 (0.64) DYRK1ANTRK1PIK3CANEK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF DYRK1A 673/4885NTRK1 1554/4885PIK3CA 277/4885

“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.