SCHEMBL562879

SCHEMBL562879

CC(C)c1cc(C(F)(F)F)cc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR2 Q13324 1/20 0.43
TACR1 P25103 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE2A O00408 1/20 0.36
GABRA2 P47869 5/20 0.34
GABRB2 P47870 5/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
GABRB3 P28472 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 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
SCHEMBL27748193 0.85 P2RX7 (0.34) TACR1SLC6A4KCNH2PDE2AGABRA2
SCHEMBL31170848 0.82 RAD51 (0.38) CYP3A4TSHRTACR1SLC6A4KCNH2
SCHEMBL29090166 0.82 RAD51 (0.38) CYP3A4TSHRTACR1SLC6A4KCNH2
SCHEMBL5635457 0.81 GABRA2 (0.32) CYP3A4TSHRTACR1SLC6A4KCNH2
SCHEMBL561772 0.79 ALDH1A1 (0.40) CYP3A4TSHRTACR1SLC6A4KCNH2
SCHEMBL12413780 0.78 CYP3A4 (0.44) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL13822035 0.78 CYP3A4 (0.58) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL24355384 0.77 NOS3 (0.55) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL18711831 0.77 CYP3A4 (0.43) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL31308541 0.74 PDE2A (0.31) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420492-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE Ishihara Sangyo Kaisha, Ltd. (JP) 2012-02-22 EP claimed
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-09 US claimed
US-11248013-B2 Tricyclic inhibitors of poly(ADP-ribose)polymerase RAKOVINA THERAPEUTICS INC. (CA) 2022-02-15 US disclosed
EP-3925962-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE Rakovina Therapeutics Inc. (CA) 2021-12-22 EP disclosed
US-20200299315-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE RAKOVINA THERAPEUTICS INC. (CA) 2020-09-24 US disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
US-8193168-B2 Use of a TRPM5 inhibitor to regulate insulin and GLP-1 release REDPOINT BIO CORPORATION (US) 2012-06-05 US disclosed
EP-2420492-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE Ishihara Sangyo Kaisha, Ltd. (JP) 2012-02-22 EP disclosed
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-09 US disclosed
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release REDPOINT BIO CORPORATION (US) 2008-12-11 US disclosed
US-20070207093-A1 Hydrazone derivatives and uses thereof LINQUAGEN CORP. 2007-09-06 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 (5 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-20070207093-A1 Hydrazone derivatives and uses thereof TAS2R1, TAS2R5, TAS1R1 CYP3A4 626/4885CYP2D6 1470/4885TSHR 935/4885
US-11248013-B2 Tricyclic inhibitors of poly(ADP-ribose)polymerase PARP1, PARP2, PARP11 CYP3A4 3280/4885CYP2D6 3986/4885TSHR 4776/4885
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release GLP1R, GIPR, TRPM5 CYP3A4 3813/4885CYP2D6 4374/4885TSHR 654/4885
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE RDX, CYP4X1, BRIX1 CYP3A4 171/4885CYP2D6 150/4885TSHR 307/4885
US-20200299315-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 CYP3A4 3232/4885CYP2D6 4006/4885TSHR 4748/4885

“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.