SCHEMBL17092136

SCHEMBL17092136

CN(Cc1ccnc(C(F)(F)F)c1)C(=O)c1cncnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.43
LOX P28300 1/20 0.43
TYMS P04818 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 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
SCHEMBL17091853 0.88 LOXL2 (0.43) VNN1LOXL2LOXTYMSHDAC3
SCHEMBL17092298 0.82 KCNH2 (0.45) VNN1HDAC3HDAC4HDAC6HDAC1
SCHEMBL17092327 0.78 TACR1 (0.40) VNN1HDAC6HDAC1HDAC8TACR1
SCHEMBL17092406 0.76 TACR1 (0.38) HDAC3HDAC4HDAC6HDAC1HDAC7
SCHEMBL17092309 0.74 P2RX7 (0.38) HDAC3HDAC4HDAC6HDAC1HDAC7
SCHEMBL15645684 0.74 HSD17B2 (0.56) MMP13MEN1KMT2APOLBHPGD
SCHEMBL30016477 0.67 MLYCD (0.48) VNN1LOXL2HDAC4MLYCD
SCHEMBL15648032 0.67 MLYCD (0.48) VNN1LOXL2HDAC4MLYCD
SCHEMBL29593796 0.67 LOXL2 (0.59) VNN1LOXL2LOXHDAC4MMP13
SCHEMBL14284330 0.67 LOXL2 (0.59) VNN1LOXL2LOXHDAC4MMP13

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 VNN1 4754/4885LOXL2 3109/4885LOX 3285/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC VNN1 4804/4885LOXL2 2643/4885LOX 2925/4885

“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.