SCHEMBL1697679

SCHEMBL1697679

CCCOc1cnc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HSD17B10 Q99714 2/20 0.42
LTA4H P09960 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37

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
SCHEMBL12523295 0.89 NPC1 (0.53) SMN1; SMN2NPC1RAB9AHSD17B10LTA4H
SCHEMBL8123046 0.85 NR5A1 (0.48) SMN1; SMN2NPC1RAB9AHSD17B10LTA4H
SCHEMBL15740900 0.85 NR5A1 (0.48) SMN1; SMN2NPC1RAB9AHSD17B10LTA4H
SCHEMBL160948 0.81 NQO1 (0.48) SMN1; SMN2NPC1LTA4HALDH1A1LMNA
SCHEMBL27003643 0.81 NCF1 (0.41) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL2221457 0.80 PLAU (0.38) SMN1; SMN2NPC1RAB9AHSD17B10L3MBTL1
SCHEMBL17918919 0.79 LTA4H (0.41) SMN1; SMN2NPC1RAB9AHSD17B10LTA4H
SCHEMBL26254910 0.79 LTA4H (0.41) SMN1; SMN2NPC1RAB9AHSD17B10LTA4H
SCHEMBL15578234 0.78 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AHSD17B10MAPT
SCHEMBL19474646 0.77 APP (0.32) SMN1; SMN2NPC1RAB9AHSD17B10MAPT

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
US-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 US disclosed
EP-2986604-B1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-12-20 EP disclosed
EP-2686312-B1 N-CYCLOPROPYL-N-PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-08-31 EP disclosed
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-8962641-B2 Pyrimidine-substituted pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-24 US disclosed
US-20140315882-A1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-23 US disclosed
US-8822471-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
EP-2588451-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-05-08 EP disclosed
CN-103080087-A Piperidine derivatives and their use for the treatment of metabolic disorders BOEHRINGER INGELHEIM INT 2013-05-01 CN disclosed
US-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof NEUROCRINE BIOSCIENCES, INC. (US) 2013-03-14 US disclosed
WO-2012126922-A1 HETEROCYCLIC AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
WO-2012123449-A1 N- CYCLOPROPYL - N- PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 WO disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 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 (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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK SMN1; SMN2 1965/4885NPC1 2989/4885RAB9A 3740/4885
US-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 SMN1; SMN2 3394/4885NPC1 527/4885RAB9A 918/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 SMN1; SMN2 4388/4885NPC1 350/4885RAB9A 2252/4885
US-20140315882-A1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TYMP, APRT, TYMS SMN1; SMN2 3693/4885NPC1 2481/4885RAB9A 2920/4885

“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.