SCHEMBL2116231

SCHEMBL2116231

CCc1cccc(Nc2ncc(CCCN(C)C)c(N)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
PLK1 P53350 3/20 0.44
PDGFRB P09619 3/20 0.44
KDR P35968 3/20 0.44
PLK3 Q9H4B4 2/20 0.44
KIT P10721 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT3 P36888 1/20 0.44
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPK14 Q16539 1/20 0.41
CAMK2D Q13557 1/20 0.41
SYK P43405 4/20 0.40
IDO1 P14902 1/20 0.40
NOS1 P29475 3/20 0.38
NOS3 P29474 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL5520429 0.87 AURKA (0.47) CDK5CDK5R1ABL1EGFRITK
SCHEMBL2115697 0.86 KMT2A (0.45) PLK1PDGFRBKDRPLK3SYK
Hydrochloric Acid SCHEMBL2113939 0.86 SLC2A1 (0.47) CDK5CDK5R1ABL1EGFRITK
SCHEMBL4352726 0.84 SYK (0.50) CDK5CDK5R1KDRSYKEGFR
Hydrochloric Acid SCHEMBL2115240 0.83 SYK (0.49) CDK5CDK5R1KDRSYKEGFR
SCHEMBL2113284 0.83 KDM4E (0.51) SYK
SCHEMBL2114912 0.83 KMT2A (0.44) PLK1PDGFRBKDRPLK3SYK
SCHEMBL2115181 0.81 STK17A (0.48) PLK1PDGFRBKDRPLK3
SCHEMBL2114995 0.80 AURKA (0.49) CDK5CDK5R1ABL1ITK
SCHEMBL2111997 0.79 RAB9A (0.45) CDK5CDK5R1PLK1PDGFRBKDR

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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 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 (2 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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG CDK5 95/4885CDK5R1 208/4885PLK1 644/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG CDK5 95/4885CDK5R1 208/4885PLK1 644/4885

“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.