SCHEMBL17092298

SCHEMBL17092298

CN(Cc1ccc(C(F)(F)F)nc1)C(=O)c1cncnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MLYCD O95822 1/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
PPARD Q03181 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
TACR1 P25103 1/20 0.37
NSD2 O96028 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
VNN1 O95497 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 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
SCHEMBL17092136 0.82 VNN1 (0.47) MEN1KMT2AMLYCDHDAC6HDAC3
SCHEMBL14540447 0.77 KCNH2 (0.45) KCNH2MLYCDPPARDTACR1MRGPRX4
SCHEMBL17092309 0.76 P2RX7 (0.38) KCNH2MEN1KMT2AMLYCDHDAC6
SCHEMBL17092406 0.75 TACR1 (0.38) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL17092327 0.72 TACR1 (0.40) KCNH2MEN1KMT2AHDAC6HDAC1
SCHEMBL24468909 0.71 KCNH2 (0.38) KCNH2MEN1KMT2AHDAC6HDAC3
SCHEMBL15645684 0.70 HSD17B2 (0.56) MEN1KMT2A
SCHEMBL17091853 0.70 LOXL2 (0.43) MEN1KMT2AMLYCDHDAC6HDAC3
SCHEMBL21491797 0.70 PPARD (0.43) KCNH2MEN1KMT2AHDAC6HDAC3
SCHEMBL14641817 0.69 TRPV4 (0.42) KCNH2

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-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC KCNH2 2016/4885MEN1 2686/4885KMT2A 2212/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC KCNH2 1711/4885MEN1 3362/4885KMT2A 2258/4885

“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.