SCHEMBL3584436

SCHEMBL3584436

CN1CCN(c2ccc(NC=C3C(=O)Nc4ccc(Cc5ccc(C(N)=O)cc5)cc43)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.43
CSF1R P07333 1/20 0.43
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.39
NTRK1 P04629 1/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
AURKB Q96GD4 1/20 0.39
ALK Q9UM73 1/20 0.39
AKT2 P31751 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
PDPK1 O15530 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL3576546 0.93 PTK2 (0.43) RETCSF1RNTRK1AKT2NPC1
SCHEMBL3570303 0.90 AKT2 (0.43) CSF1RCHEK1AURKBAKT2
SCHEMBL3584439 0.89 CSF1R (0.42) RETCSF1RAURKANTRK1INSR
SCHEMBL5440194 0.89 CSF1R (0.47) RETCSF1RALKNPC1RAB9A
SCHEMBL4704567 0.89 CSF1R (0.47) RETCSF1RALKNPC1RAB9A
SCHEMBL3581951 0.89 CSF1R (0.43) RETCSF1RCHEK1NTRK1NPC1
SCHEMBL3576911 0.86 CSF1R (0.47) CSF1RNTRK1NPC1RAB9AKMT2A
SCHEMBL3576548 0.85 CSF1R (0.40) RETCSF1RNTRK1NPC1RAB9A
SCHEMBL4758319 0.84 PDPK1 (0.42) RETCSF1RCHEK1NTRK1AKT2
SCHEMBL3573216 0.84 PDPK1 (0.42) RETCSF1RCHEK1NTRK1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 RET 93/4885CSF1R 776/4885CHEK1 539/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 RET 41/4885CSF1R 877/4885CHEK1 161/4885

“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.