SCHEMBL3312581

SCHEMBL3312581

Cc1ccc(N2CC[C@H](N(C)C)C2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
KDR P35968 1/20 0.42
MAP4K4 O95819 1/20 0.41
MCHR1 Q99705 6/20 0.41
HTR2B P41595 2/20 0.40
HTR6 P50406 2/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
USP28 Q96RU2 2/20 0.38
SOS1 Q07889 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
BTK Q06187 1/20 0.38
MRGPRX2 Q96LB1 1/20 0.38
NTSR1 P30989 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
SCHEMBL3352413 1.00 PDGFRB (0.42) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL1750140 0.88 GAA (0.49) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL4253950 0.88 GAA (0.49) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL4299094 0.88 GAA (0.49) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL29276828 0.88 KDR (0.43) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL29276789 0.88 KDR (0.43) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL29276792 0.88 KDR (0.43) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL24681112 0.82 FPR1 (0.43) MCHR1HTR2BHTR6KCNH2SOS1
SCHEMBL3538834 0.82 NTSR1 (0.47) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL4263614 0.81 FPR1 (0.44) PDGFRBFGFR1KDRMAP4K4MCHR1

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS PDGFRB 700/4885FGFR1 1607/4885KDR 2979/4885

“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.