SCHEMBL3697154

SCHEMBL3697154

NC(=O)n1cc2cccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 3/20 0.38
CASP1 P29466 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP7 P55210 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
PLK1 P53350 1/20 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
SCHEMBL28310442 0.84 ALDH1A1 (0.42) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL22158726 0.82 ALDH1A1 (0.41) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29496262 0.78 POLB (0.43) ALDH1A1MEN1KMT2AMAPTPOLB
Formic Acid SCHEMBL29496205 0.77 ALOX15 (0.37) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3700594 0.76 TSHR (0.39) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9220551 0.75 PARP1 (0.41) PARP1ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL28200481 0.74 TSHR (0.38) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30694972 0.71 ERN1 (0.33) PARP1ALDH1A1MEN1KMT2AMAPT
Quinoline SCHEMBL2201840 0.71 ALDH1A1 (0.74) PARP1ALDH1A1MEN1KMT2AMAPT
Quinoline SCHEMBL1287895 0.71 ALDH1A1 (0.74) PARP1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024038129-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 WO claimed
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2025-07-31 US disclosed
WO-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
WO-2024038129-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 WO disclosed
US-11905284-B2 5,7-dihydro-pyrrolo-pyridine derivatives PFIZER INC. (US) 2024-02-20 US disclosed
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2023-06-22 US disclosed
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (6 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK PARP1 737/4885ALDH1A1 2558/4885MEN1 1333/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 PARP1 1199/4885ALDH1A1 2689/4885MEN1 1139/4885
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA1 PARP1 831/4885ALDH1A1 637/4885MEN1 2232/4885
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 PARP1 3556/4885ALDH1A1 754/4885MEN1 3103/4885
US-11905284-B2 5,7-dihydro-pyrrolo-pyridine derivatives CHRM1, CHRM5, CHRM2 PARP1 3556/4885ALDH1A1 754/4885MEN1 3103/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 PARP1 1199/4885ALDH1A1 2689/4885MEN1 1139/4885

“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.