SCHEMBL15529484

SCHEMBL15529484

CCOC(=O)c1cc(C(F)(F)F)nn1-c1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.45
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
ELANE P08246 1/20 0.38
CRACR2A Q9BSW2 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
LMNA P02545 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL16660099 0.85 ALDH1A1 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15529109 0.82 KLKB1 (0.47) ALDH1A1CRACR2AKDM4EPTGS1PTGS2
SCHEMBL15529549 0.81 KLKB1 (0.41) CRACR2APTGS2
SCHEMBL15529045 0.80 GAA (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15529629 0.79 ALDH1A1 (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20028500 0.77 SMN1; SMN2 (0.61) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31546290 0.77 MAPT (0.42) MAPTALDH1A1HPGDKDM4EPTGS2
SCHEMBL24303767 0.76 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12361464 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDGAAKDM4E
SCHEMBL15529788 0.75 SLC34A1 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
EP-2844656-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 EP disclosed
WO-2013164773-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 WO 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-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 MAPT 2296/4885NPC1 650/4885RAB9A 840/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 MAPT 2296/4885NPC1 650/4885RAB9A 840/4885

“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.