SCHEMBL6033929

SCHEMBL6033929

N#Cc1cnc(Nc2ccc(-n3cncn3)cc2)nc1-c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.47
JUN P05412 2/20 0.44
MAPK8 P45983 2/20 0.44
KDR P35968 8/20 0.43
CDK1 P06493 8/20 0.43
SYK P43405 2/20 0.42
CCNT1 O60563 3/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CDK9 P50750 3/20 0.40
CCNA1 P78396 3/20 0.40
CCNB1 P14635 2/20 0.40
CDK7 P50613 2/20 0.40
CCNH P51946 2/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
AURKA O14965 1/20 0.38
ACVR1 Q04771 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7515389 0.85 KDR (0.54) MAPK10KDRCDK1SYKACVR1
SCHEMBL6034534 0.83 MAPK10 (0.55) MAPK10KDRCDK1SYKACVR1
SCHEMBL7515392 0.82 MAPK10 (0.54) MAPK10JUNMAPK8KDRCDK1
SCHEMBL6033744 0.81 SYK (0.47) KDRCDK1SYKCYP1A1CYP1A2
SCHEMBL6033287 0.80 NPC1 (0.60) KDRCDK1SYKCCNT1CCNA2
SCHEMBL6033761 0.79 KDR (0.62) MAPK10KDRCDK1
SCHEMBL6034008 0.76 KDR (0.50) MAPK10KDRCDK1SYK
SCHEMBL6033939 0.76 CDK1 (0.65) MAPK10KDRCDK1CCNT1CDK2
SCHEMBL6033873 0.74 SYK (0.51) KDRCDK1SYK
SCHEMBL6033825 0.74 SYK (0.55) KDRCDK1SYKCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR MAPK10 1627/4885JUN 2760/4885MAPK8 856/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR MAPK10 1613/4885JUN 2874/4885MAPK8 867/4885

“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.