SCHEMBL16632079

SCHEMBL16632079

O=C(c1cccc(Cl)c1)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 6/20 0.48
GRM5 P41594 1/20 0.47
DDR1 Q08345 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR1 P21554 1/20 0.45
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
GAA P10253 1/20 0.44
CNR2 P34972 1/20 0.44
PARP1 P09874 1/20 0.44
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PKM P14618 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
SCHEMBL28019417 0.86 VNN1 (0.58) VNN1DDR1SMARCA2SMARCA4CNR2
SCHEMBL15647834 0.81 GRM5 (0.52) VNN1GRM5LMNAMAPTKMT2A
SCHEMBL3173817 0.77 PARP1 (0.68) VNN1MAPTGAAPARP1ALDH1A1
SCHEMBL27160486 0.77 SRD5A2 (0.57) VNN1CNR1CNR2SRD5A2
SCHEMBL5592041 0.76 MEN1 (0.62) VNN1GRM5LMNAMAPTKMT2A
SCHEMBL17981961 0.76 SMARCA2 (0.49) VNN1DDR1SMARCA2SMARCA4
SCHEMBL8198322 0.75 LMNA (0.44) GRM5LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL11505016 0.75 SRD5A2 (0.59) LMNAMAPTKMT2ASMN1; SMN2CNR1
SCHEMBL3444927 0.75 PARP1 (0.65) VNN1MAPTGAAPARP1ALDH1A1
SCHEMBL29427285 0.74 KDM5C (0.55) VNN1MAPTSMARCA2SMARCA4ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 EP disclosed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
EP-3057950-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
WO-2015057203-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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 (3 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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA VNN1 4805/4885GRM5 908/4885DDR1 3628/4885
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt RORC, RORB, RORA VNN1 4829/4885GRM5 967/4885DDR1 3650/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB VNN1 4742/4885GRM5 1210/4885DDR1 3983/4885

“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.