SCHEMBL2114935

SCHEMBL2114935

CC(=O)N1CCN(c2nc3cc(F)cc(F)c3cc2[C@H](C)Nc2ncnc3ccnn23)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 6/20 0.38
KRAS P01116 5/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
P2RX3 P56373 2/20 0.34
KIT P10721 4/20 0.33
LRRK2 Q5S007 1/20 0.33
GPR6 P46095 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
CNR2 P34972 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL2114937 1.00 SOS1 (0.38) SOS1KRASCYP2C9CYP1A2CYP2D6
SCHEMBL2117482 0.88 KRAS (0.40) SOS1KRASCYP2C9CYP1A2CYP2D6
SCHEMBL2117481 0.88 KRAS (0.40) SOS1KRASCYP2C9CYP1A2CYP2D6
SCHEMBL2113493 0.79 PIK3CD (0.47) SOS1KRASCYP2C9CYP1A2CYP2D6
SCHEMBL2113490 0.79 PIK3CD (0.47) SOS1KRASCYP2C9CYP1A2CYP2D6
SCHEMBL2115003 0.78 CNR2 (0.43) SOS1KRASCYP2C9CYP1A2CYP2D6
SCHEMBL2115000 0.78 CNR2 (0.43) SOS1KRASCYP2C9CYP1A2CYP2D6
SCHEMBL2118042 0.76 KRAS (0.39) SOS1KRASCYP2C9CYP1A2CYP2D6
SCHEMBL2118050 0.76 KRAS (0.39) SOS1KRASCYP2C9CYP1A2CYP2D6
SCHEMBL2113480 0.75 NCF1 (0.38) ACHEBACE1GPR6AKT1AKT2

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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA SOS1 1776/4885KRAS 1096/4885CYP2C9 666/4885

“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.