SCHEMBL562087

SCHEMBL562087

CCCCOc1ccccc1Cn1ccc(C(=O)Nc2ccncc2F)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
F2 P00734 1/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
PIM1 P11309 4/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NR3C1 P04150 1/20 0.40
ROCK2 O75116 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
SGMS2 Q8NHU3 2/20 0.38
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL560811 0.88 NPC1 (0.43) KMT2AF2ALOX15NPC1RAB9A
SCHEMBL561125 0.84 SMN1; SMN2 (0.46) KMT2AF2ALOX15NPC1RAB9A
SCHEMBL562353 0.81 NPC1 (0.51) KMT2AF2ALOX15NPC1RAB9A
SCHEMBL561365 0.81 KMT2A (0.48) KMT2AF2ALOX15NPC1RAB9A
SCHEMBL562123 0.78 KMT2A (0.49) KMT2AF2ALOX15NPC1RAB9A
SCHEMBL561391 0.77 PTGER1 (0.54) KMT2AF2ALOX15NPC1RAB9A
SCHEMBL561556 0.75 SMN1; SMN2 (0.48) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL3067259 0.75 STIM1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL561325 0.74 KMT2A (0.50) KMT2AF2ALOX15NPC1RAB9A
SCHEMBL561142 0.74 PTGER1 (0.56) NPC1RAB9ASMN1; SMN2LMNASGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 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 (1 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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS RYR2, PAICS, CTRC KMT2A 3378/4885F2 3126/4885ALOX15 1971/4885

“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.