SCHEMBL20001367

SCHEMBL20001367

CCCc1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.50
CNR1 P21554 1/20 0.50
GRM2 Q14416 5/20 0.49
NTRK1 P04629 1/20 0.43
NTRK2 Q16620 1/20 0.43
DRD4 P21917 4/20 0.43
RORC P51449 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 2/20 0.41
KIF11 P52732 1/20 0.41
PKM P14618 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR3B O95264 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL16256875 0.88 GRM2 (0.51) CNR2CNR1GRM2NTRK1NTRK2
SCHEMBL13603591 0.84 GRM2 (0.50) CNR2CNR1GRM2DRD4RORC
SCHEMBL19664446 0.84 GRM2 (0.53) CNR2CNR1GRM2DRD4RORC
SCHEMBL11955035 0.82 GRM2 (0.49) CNR2CNR1GRM2DRD4RORC
SCHEMBL18090934 0.81 GRM2 (0.48) CNR2CNR1GRM2DRD4RORC
SCHEMBL8651809 0.77 ESR1 (0.48) CNR2MEN1KMT2APKMKDM4E
SCHEMBL10238327 0.76 MEN1 (0.47) CNR2CNR1GRM2MEN1KMT2A
SCHEMBL8058929 0.76 KDM4E (0.50) GRM2MEN1KMT2APKMHTR3E
SCHEMBL23507228 0.75 POLB (0.50) CNR2CNR1GRM2DRD4DRD2
SCHEMBL21698420 0.75 CNR2 (0.42) CNR2CNR1GRM2MEN1KMT2A

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-10959984-B2 Methods for treating cancer with RORγ inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-30 US disclosed
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 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-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS RORB, RORA, RORC CNR2 744/4885CNR1 611/4885GRM2 343/4885
US-10959984-B2 Methods for treating cancer with RORγ inhibitors RORB, RORC, RORA CNR2 420/4885CNR1 372/4885GRM2 269/4885

“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.