SCHEMBL1592216

SCHEMBL1592216

O=CN1CCCCC1c1ccc(Nc2nc(Cl)nc3c2ncn3-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
YTHDC1 Q96MU7 2/20 0.40
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.35
CDK2 P24941 3/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35
DYRK1A Q13627 2/20 0.35
FLT3 P36888 3/20 0.35
PDGFRA P16234 2/20 0.34
SRC P12931 1/20 0.34
ABL1 P00519 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL1590863 0.75 NPC1 (0.50) CYP2D6CYP2C9TSHRCYP2C19YTHDC1
SCHEMBL22587406 0.70 CYP2D6 (0.55) CYP2D6CYP2C9TSHRCYP2C19YTHDC1
SCHEMBL5194070 0.68 FLT3 (0.64) NPC1CDK2FLT3PDGFRASRC
SCHEMBL8846952 0.68 CHRNB2 (0.49) CYP2C19
SCHEMBL8846954 0.68 CHRNB2 (0.49) CYP2C19
SCHEMBL4019471 0.68 CHRNB2 (0.49) CYP2C19
SCHEMBL4565107 0.67 EGFR (0.38) CDK2CCNA2FLT3PDGFRASRC
SCHEMBL30677365 0.67 CYP2D6 (0.65) CYP2D6CYP2C9TSHRCYP2C19YTHDC1
SCHEMBL27388299 0.67 YTHDC1 (0.70) CYP2D6CYP2C9TSHRCYP2C19YTHDC1
SCHEMBL5195445 0.67 SCTR (0.63) NPC1CDK2FLT3PDGFRASRC

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-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 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-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN CYP2D6 4705/4885CYP2C9 4457/4885TSHR 999/4885

“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.