SCHEMBL17358501

SCHEMBL17358501

Cc1cnc2[nH]c3ccc(C(F)(F)F)cc3c2c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.65
CHUK O15111 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.43
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL17359744 0.88 CHUK (0.56) KIF11CHUKMEN1KMT2AKDM4E
SCHEMBL28280007 0.82 ACHE (0.54) KIF11KDM4EPDK2PDK4
SCHEMBL20685567 0.80 KIF11 (0.53) KIF11CHUKMEN1KMT2AKDM4E
SCHEMBL10253400 0.79 KIF11 (1.00) KIF11CHUKMEN1KMT2AKDM4E
SCHEMBL4421221 0.77 CHUK (0.47) CHUKPDK2PDK4
SCHEMBL20685571 0.77 CHUK (0.47) CHUKMEN1KMT2APDK2PDK4
SCHEMBL13598869 0.77 PDK2 (0.43) KDM4EPDK2PDK4
SCHEMBL18858401 0.76 KIF11 (0.64) KIF11CHUKMEN1KMT2AKDM4E
SCHEMBL412032 0.75 KIF11 (0.81) KIF11CHUKMEN1KMT2AKDM4E
SCHEMBL29507666 0.75 KIF11 (0.81) KIF11CHUKMEN1KMT2AKDM4E

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
US-9994577-B2 Azepanyl-derivatives and pharmaceutical compositions comprising the same with antiparasitic activity MERCK PATENT GMBH (DE) 2018-06-12 US disclosed
US-9908863-B2 Piperidinylcarbazoles MERCK PATENT GMBH (DE) 2018-03-06 US disclosed
US-20170137428-A1 AZEPANYL-DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WITH ANTIPARASITIC ACTIVITY MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20150368226-A1 PIPERIDINYLCARBAZOLES MERCK PATENT GMBH (DE) 2015-12-24 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-20170137428-A1 AZEPANYL-DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WITH ANTIPARASITIC ACTIVITY ACHE, PARK7, CYP51A1 KIF11 1584/4885CHUK 4243/4885MEN1 343/4885
US-20150368226-A1 PIPERIDINYLCARBAZOLES PSEN1, ARG2, UQCRC1 KIF11 3888/4885CHUK 4226/4885MEN1 2490/4885

“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.