SCHEMBL12378876

SCHEMBL12378876

Cc1cc(F)cc2cnc(N[C@H]3CC[C@H](O)CC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.49
LCK P06239 2/20 0.44
EGFR P00533 1/20 0.44
INSR P06213 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
BRD4 O60885 5/20 0.43
MAPK7 Q13164 5/20 0.43
CCNT1 O60563 4/20 0.41
ABL1 P00519 1/20 0.41
BRD2 P25440 1/20 0.40
EP300 Q09472 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
CREBBP Q92793 1/20 0.40
ITK Q08881 1/20 0.39
AURKB Q96GD4 1/20 0.39
CDC7 O00311 2/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39

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
SCHEMBL558762 0.82 LCK (0.42) MAPK14LCKEGFRINSRPDGFRB
SCHEMBL10166210 0.82 LCK (0.42) MAPK14LCKEGFRINSRPDGFRB
SCHEMBL558761 0.82 LCK (0.42) MAPK14LCKEGFRINSRPDGFRB
SCHEMBL558920 0.82 LCK (0.42) MAPK14LCKEGFRINSRPDGFRB
SCHEMBL559465 0.81 HCAR3 (0.44) MAPK14LCKEGFRINSRPDGFRB
SCHEMBL10166205 0.81 HCAR3 (0.44) MAPK14LCKEGFRINSRPDGFRB
SCHEMBL559464 0.81 HCAR3 (0.44) MAPK14LCKEGFRINSRPDGFRB
SCHEMBL10166201 0.75 TYRO3 (0.43) MAPK14CCNT1
SCHEMBL558941 0.75 TYRO3 (0.43) MAPK14CCNT1
SCHEMBL558940 0.75 TYRO3 (0.43) MAPK14CCNT1

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-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK14 65/4885LCK 101/4885EGFR 455/4885

“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.