SCHEMBL1336232

SCHEMBL1336232

O=C(Nc1n[nH]c2ccc(Oc3cc(F)cc(F)c3)cc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.65
FLT3 P36888 5/20 0.47
KIT P10721 2/20 0.47
CDK2 P24941 2/20 0.46
AURKA O14965 1/20 0.45
INSR P06213 1/20 0.45
IGF1R P08069 1/20 0.45
AURKB Q96GD4 1/20 0.45
ALK Q9UM73 1/20 0.45
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FFAR1 O14842 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CDK7 P50613 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1336378 0.90 NTRK1 (0.57) NTRK1FLT3KITCDK2ALDH1A1
SCHEMBL1335600 0.87 NTRK1 (0.50) NTRK1FLT3KITCDK2AURKA
SCHEMBL1334968 0.86 NTRK1 (0.69) NTRK1FLT3KITCDK2AURKA
SCHEMBL2476649 0.86 NTRK1 (0.68) NTRK1FLT3KITCDK2AURKA
SCHEMBL18812669 0.81 HDAC6 (0.57) FLT3CDK2ALDH1A1SMN1; SMN2MEN1
SCHEMBL1336493 0.79 NTRK1 (0.63) NTRK1FLT3KITAURKAINSR
SCHEMBL1335092 0.79 NTRK1 (0.61) NTRK1FLT3KITAURKAINSR
SCHEMBL1334169 0.79 NTRK1 (1.00) NTRK1FLT3KITAURKAINSR
SCHEMBL1336328 0.78 NTRK1 (0.77) NTRK1FLT3KITAURKAINSR
SCHEMBL1334911 0.77 MEN1 (0.55) NTRK1FLT3CDK2ALDH1A1SMN1; SMN2

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
EP-2373626-B1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-24 EP claimed
US-8354399-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-15 US claimed
US-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-11-17 US claimed
EP-2373626-B1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-24 EP disclosed
US-8354399-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-15 US disclosed
US-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-11-17 US disclosed
EP-2373626-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2011-10-12 EP disclosed
WO-2010069966-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-24 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-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, MAP3K3, MAP3K5 NTRK1 1510/4885FLT3 241/4885KIT 441/4885

“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.