SCHEMBL1723150

SCHEMBL1723150

Nc1cnccc1C1=CC(N2C(=O)c3ccccc3C2=O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
GRM5 P41594 1/20 0.47
PIM1 P11309 4/20 0.36
PIM2 Q9P1W9 4/20 0.36
PIM3 Q86V86 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DDB1 Q16531 3/20 0.35
CRBN Q96SW2 3/20 0.35
IKZF3 Q9UKT9 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRM2 P08172 1/20 0.35
OPRM1 P35372 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TNF P01375 1/20 0.35
IL1B P01584 1/20 0.35
TBXA2R P21731 1/20 0.35
IKZF1 Q13422 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1723265 0.82 CYP1A2 (0.43) CYP1A2GRM5DDB1CRBNALDH1A1
SCHEMBL13833544 0.81 CYP1A2 (0.44) CYP1A2GRM5PIM1PIM2PIM3
SCHEMBL13736491 0.81 CYP1A2 (0.44) CYP1A2GRM5MAOAMAOBDDB1
SCHEMBL13736789 0.81 CYP1A2 (0.42) CYP1A2GRM5MAOAMAOBDDB1
SCHEMBL1712005 0.80 CYP1A2 (0.34) CYP1A2GRM5MAOAMAOBDDB1
SCHEMBL19371052 0.74 PIM1 (0.38) PIM1PIM2PIM3ALDH1A1TDP1
SCHEMBL15540729 0.69 CYP1A2 (0.51) CYP1A2GRM5DDB1CRBNIKZF3
SCHEMBL13833170 0.68 ALDH1A1 (0.40) CYP1A2GRM5PIM1PIM2PIM3
SCHEMBL13833169 0.68 ALDH1A1 (0.40) CYP1A2GRM5PIM1PIM2PIM3
SCHEMBL1723397 0.68 ALDH1A1 (0.40) CYP1A2GRM5PIM1PIM2PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943485-B1 BICYCLIC AROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2017-09-20 EP disclosed
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS NOVARTIS AG (CH) 2015-11-26 US disclosed
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS NOVARTIS AG (CH) 2015-11-26 US disclosed
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS NOVARTIS AG (CH) 2015-11-26 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
EP-2344474-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2011-07-20 EP disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 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 (4 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-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 CYP1A2 4109/4885GRM5 3006/4885PIM1 1/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 CYP1A2 4109/4885GRM5 3006/4885PIM1 1/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 CYP1A2 4109/4885GRM5 3006/4885PIM1 1/4885
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS PIM1, PIM2, PIM3 CYP1A2 338/4885GRM5 1233/4885PIM1 1/4885

“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.