SCHEMBL1201323

SCHEMBL1201323

N#Cc1ccc(Nc2cc[nH]n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
CHEK1 O14757 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
JAK2 O60674 2/20 0.38
TMPRSS4 Q9NRS4 1/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 2/20 0.36
IDH1 O75874 3/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL25781408 0.77 MAP3K12 (0.43) TRPV4JAK2TYK2
SCHEMBL31512322 0.75 GRM5 (0.44) MEN1KMT2AJAK2TYK2JAK3
SCHEMBL29783847 0.74 CHEK1 (0.48) TRPV4CHEK1MEN1KMT2AJAK2
SCHEMBL31512323 0.72 ABCG2 (0.40) JAK2TYK2JAK3KDM4EALDH1A1
SCHEMBL10549553 0.71 ABCG2 (0.53) MEN1KMT2AJAK2JAK3KDM4E
SCHEMBL1959481 0.71 GRM5 (0.43) CHEK1KDM4EALDH1A1L3MBTL1
SCHEMBL8989496 0.71 TMPRSS4 (0.47) TRPV4MEN1KMT2AJAK2TMPRSS4
SCHEMBL31512265 0.70 JAK2 (0.39) CHEK1JAK2TYK2JAK3
SCHEMBL24991566 0.70 MEN1 (0.45) TRPV4MEN1KMT2AJAK2TMPRSS4
SCHEMBL479494 0.70 KDM4E (0.46) TRPV4MEN1KMT2ATMPRSS4IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168686-A1 SUBSTITUTED CYCLOPENTANES AS CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2023-09-14 WO disclosed
WO-2023116884-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-06-29 WO disclosed
US-8168644-B2 Quinazolinone derivatives as tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-01 US disclosed
EP-2260026-B1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-22 EP disclosed
US-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-03 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 (1 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-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB1, TUBA1C TRPV4 4661/4885CHEK1 842/4885MEN1 2034/4885

“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.