SCHEMBL3970187

SCHEMBL3970187

CSc1ncc(C#N)c(NC(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CLK1 P49759 1/20 0.41
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.35
AURKA O14965 1/20 0.35
CDK2 P24941 1/20 0.35
F2 P00734 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
SCHEMBL2480844 0.82 KDM4E (0.45) LRRK2KDM4EGAAHSD17B10L3MBTL1
SCHEMBL17151396 0.79 LRRK2 (0.48) LRRK2KDM4EALDH1A1GAAHSD17B10
SCHEMBL17148527 0.78 LRRK2 (0.47) LRRK2KDM4EALDH1A1GAAHSD17B10
SCHEMBL30379868 0.78 CSNK1A1 (0.50) LRRK2KDM4EALDH1A1GAAHSD17B10
SCHEMBL15354452 0.78 LRRK2 (0.47) LRRK2KDM4EALDH1A1GAAHSD17B10
SCHEMBL21596303 0.78 CSNK1A1 (0.50) LRRK2KDM4EALDH1A1GAAHSD17B10
SCHEMBL1226660 0.77 LRRK2 (0.44) LRRK2KDM4EALDH1A1KMT2AMEN1
SCHEMBL1227148 0.77 MEN1 (0.47) LRRK2KDM4EALDH1A1KMT2AMEN1
SCHEMBL16094328 0.77 KDM4E (0.36) KDM4E
SCHEMBL16094329 0.77 KDM4E (0.36) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559505-B2 IDH mutant inhibitor and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2026-02-24 US disclosed
CN-115768775-B IDH mutant inhibitors and uses thereof 微境生物医药科技(上海)有限公司 2024-10-25 CN disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 US disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 US disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 US disclosed
CN-115768775-A IDH mutant inhibitor and application thereof 微境生物医药科技(上海)有限公司 2023-03-07 CN disclosed
WO-2022001916-A1 IDH MUTANT INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2022-01-06 WO disclosed
CN-113845528-A IDH mutant inhibitor and application thereof 微境生物医药科技(上海)有限公司 2021-12-28 CN disclosed
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 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 (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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 LRRK2 1552/4885KDM4E 3108/4885ALDH1A1 2575/4885
US-12559505-B2 IDH mutant inhibitor and use thereof IDH3A, IDH1, IDH3B LRRK2 184/4885KDM4E 470/4885ALDH1A1 291/4885
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B LRRK2 663/4885KDM4E 546/4885ALDH1A1 123/4885

“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.