SCHEMBL3706072

SCHEMBL3706072

NC(=O)n1cc2ccncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.41
ROCK1 Q13464 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL27847925 0.98 CDK8 (0.40) CDK8ROCK1CHEK1AURKADAPK3
SCHEMBL26112141 0.82 IMPDH2 (0.38) CDK8ROCK1CHEK1AURKADAPK3
SCHEMBL29930920 0.76 GPR119 (0.40)
SCHEMBL3700594 0.74 TSHR (0.39) KDM4ETDP1MEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28200481 0.73 TSHR (0.38) KDM4ETDP1MEN1ALDH1A1MAPT
SCHEMBL28102813 0.70 EGFR (0.37) IMPDH2AR
Isoquinoline SCHEMBL3099710 0.69 KDM4E (0.50) CDK8ROCK1CHEK1AURKADAPK3
SCHEMBL256355 0.69 HASPIN (0.43) GSK3BDYRK1AKDM4EMAPTPRKCZ
Isoquinoline SCHEMBL2230386 0.68 IMPDH2 (0.50) CDK8ROCK1CHEK1AURKADAPK3
SCHEMBL14312993 0.67 SLC22A12 (0.55) SIRT3TDP1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO claimed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP claimed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
WO-2024121048-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 WO disclosed
EP-4003958-A1 SYNTHESIS OF BICYCLIC INHIBITORS OF HISTONE DEACETYLASE Alkermes, Inc. (US) 2022-06-01 EP 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 (3 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 CDK8 1219/4885ROCK1 13/4885CHEK1 3298/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 CDK8 1243/4885ROCK1 8/4885CHEK1 2969/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 CDK8 1243/4885ROCK1 8/4885CHEK1 2969/4885

“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.