SCHEMBL14973124

SCHEMBL14973124

Cn1ncc(-c2nc(-c3ccccc3)no2)c1COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.47
TXNRD1 Q16881 1/20 0.47
NOX4 Q9NPH5 1/20 0.47
POLB P06746 1/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
S1PR1 P21453 4/20 0.44
FFAR1 O14842 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
SMPD1 P17405 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 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
SCHEMBL14973025 0.92 S1PR1 (0.46) CHUKTXNRD1NOX4RAB9ANPC1
SCHEMBL14973330 0.91 CHUK (0.48) CHUKTXNRD1NOX4POLBRAB9A
SCHEMBL14973300 0.91 NR1H4 (0.47) CHUKTXNRD1NOX4POLBRAB9A
SCHEMBL14973249 0.91 CXCR1 (0.46) CHUKTXNRD1NOX4POLBRAB9A
SCHEMBL14973060 0.91 S1PR1 (0.53) POLBRAB9ANPC1S1PR1SMN1; SMN2
SCHEMBL14973268 0.90 NR1H4 (0.45) CHUKTXNRD1NOX4RAB9ANPC1
SCHEMBL14973313 0.90 NR1H4 (0.45) CHUKTXNRD1NOX4RAB9ANPC1
SCHEMBL14973256 0.89 SMPD1 (0.40) CHUKTXNRD1NOX4POLBRAB9A
SCHEMBL14973376 0.88 S1PR1 (0.44) CHUKTXNRD1NOX4POLBRAB9A
SCHEMBL14972928 0.87 NPC1 (0.47) POLBRAB9ANPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877944-B2 3-oxo-2,3-dihydro-1H-isoindole-4-carboxamides as PARP inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-11-04 US disclosed
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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 (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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A CHUK 1202/4885TXNRD1 3039/4885NOX4 2562/4885

“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.