SCHEMBL21030752

SCHEMBL21030752

Cc1cc(-n2nccn2)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.36
RAPGEF4 Q8WZA2 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NOTUM Q6P988 2/20 0.36
KAT6A Q92794 1/20 0.34
CNR1 P21554 1/20 0.34
XPO1 O14980 1/20 0.34
AR P10275 1/20 0.34
CYP1A2 P05177 3/20 0.34
PHGDH O43175 2/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
ADRB1 P08588 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL24656150 0.83 GABRA1 (0.35) KAT6ACYP3A4MAPTLMNABLM
SCHEMBL24656151 0.81 AR (0.41) NR2E1FFAR4NOTUMCNR1XPO1
SCHEMBL8739094 0.78 NR2E1 (0.50) NR2E1NOTUMCNR1ARCYP1A2
SCHEMBL21030428 0.77 CNR1 (0.33) NR2E1NOTUMCNR1ARADRB1
SCHEMBL25753316 0.76 KAT6A (0.41) NOTUMKAT6ACNR1ARMAPT
SCHEMBL25777245 0.75 EPHX2 (0.45) NR2E1RAPGEF4FFAR4NOTUMKAT6A
SCHEMBL14951067 0.75 KAT6A (0.39) RAPGEF4FFAR4KAT6ACYP1A2CYP3A4
SCHEMBL29935724 0.74 CNR1 (0.35) NOTUMCNR1XPO1ADRB1KDM4E
SCHEMBL19814230 0.73 NR2E1 (0.48) NR2E1XPO1MAPTLMNANFKB1
SCHEMBL20996728 0.73 CES2 (0.43) CNR1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO NR2E1 762/4885RAPGEF4 1054/4885FFAR4 3761/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO NR2E1 762/4885RAPGEF4 1054/4885FFAR4 3761/4885

“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.