SCHEMBL14375862

SCHEMBL14375862

Cc1cnc(/C=C2\C(=O)Nc3ccc(OC(F)(F)F)cc32)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.67
▸ CES1 P23141 1/20 0.52
▸ TLK2 Q86UE8 6/20 0.50
▸ LRRK2 Q5S007 3/20 0.49
▸ CDK2 P24941 3/20 0.47
▸ PDPK1 O15530 3/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ GSK3A P49840 2/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CCNE1 P24864 2/20 0.47

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
SCHEMBL14376567 0.86 TLK2 (0.66) RETTLK2LRRK2CDK2PDPK1
SCHEMBL14375844 0.84 TLK2 (0.52) RETTLK2LRRK2CDK2PDPK1
SCHEMBL14375876 0.83 RET (0.65) RETCES1TLK2LRRK2CDK2
SCHEMBL15896535 0.83 LRRK2 (0.70) RETTLK2LRRK2CDK2PDPK1
SCHEMBL14375852 0.83 LRRK2 (0.72) RETCES1TLK2LRRK2CDK2
SCHEMBL15878789 0.83 LRRK2 (0.72) RETCES1TLK2LRRK2CDK2
SCHEMBL14376387 0.82 MEN1 (0.57) RETTLK2CDK2PDPK1KDR
SCHEMBL14375845 0.79 RET (0.62) RETLRRK2PDGFRBRPS6KA3TGM2
SCHEMBL14376375 0.79 RET (0.59) RETCES1TLK2LRRK2CDK2
SCHEMBL14376577 0.78 NPC1 (0.63) RETCES1TLK2LRRK2CDK2

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-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 — — US disclosed
WO-2012178015-A2 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2012-12-27 — — WO 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-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 RET 789/4885CES1 4336/4885TLK2 35/4885

“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.

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