SCHEMBL3220846

SCHEMBL3220846

c1ccc(C(=NNc2cccc3cnccc23)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
BLM P54132 1/20 0.53
TRPV1 Q8NER1 4/20 0.48
ALDH1A1 P00352 8/20 0.48
MAPT P10636 8/20 0.48
KDM4E B2RXH2 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 1/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
LMNA P02545 3/20 0.45
NSD2 O96028 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL29496057 0.83 CYP3A4 (0.53) KMT2AHTTMEN1MAPK1ALDH1A1
SCHEMBL12757681 0.78 ALDH1A1 (0.48) KMT2AHTTMEN1MAPK1ALDH1A1
SCHEMBL23332049 0.75 KMT2A (0.61) KMT2AHTTMEN1MAPK1BLM
SCHEMBL17737359 0.75 KMT2A (0.76) KMT2AHTTMEN1MAPK1BLM
SCHEMBL10021267 0.75 ALDH1A1 (0.46) KMT2AHTTMEN1MAPK1ALDH1A1
SCHEMBL1013116 0.75 ALDH1A1 (0.49) KMT2AHTTMEN1MAPK1ALDH1A1
SCHEMBL6833482 0.74 SIRT2 (0.47) KMT2AHTTMEN1MAPK1BLM
SCHEMBL20265071 0.73 ALDH1A1 (0.44) KMT2AHTTMEN1MAPK1ALDH1A1
SCHEMBL20856359 0.73 HTT (0.42) KMT2AHTTMEN1ALDH1A1MAPT
SCHEMBL12820912 0.73 ALDH1A1 (0.47) KMT2AHTTMEN1MAPK1ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120933-B1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-07-08 EP disclosed
EP-2120933-B1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-07-08 EP disclosed
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8293762-B2 Isoquinolinopyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-23 US disclosed
US-8293762-B2 Isoquinolinopyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-23 US disclosed
US-8293762-B2 Isoquinolinopyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-23 US disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 US disclosed
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-04 US disclosed
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-04 US disclosed
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-04 US disclosed
EP-2120933-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
EP-2118102-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES Nerviano Medical Sciences S.r.l. (IT) 2009-11-18 EP disclosed
WO-2008104475-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-09-04 WO disclosed
WO-2008104475-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-09-04 WO disclosed
WO-2008065054-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-05 WO disclosed
WO-2008065054-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-05 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 KMT2A 2454/4885HTT 2609/4885MEN1 1222/4885
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS CDK2, CDK1, CDK3 KMT2A 675/4885HTT 3988/4885MEN1 3084/4885

“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.