SCHEMBL388969

SCHEMBL388969

CCOc1cnccc1-c1cccc2cc(-c3nc(Cl)ncc3F)sc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.33
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK14 Q16539 2/20 0.32
GCGR P47871 1/20 0.32
LIMK1 P53667 4/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 1/20 0.31
SYK P43405 1/20 0.30

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
SCHEMBL391679 0.90 ALDH1A1 (0.31) ALDH1A1
SCHEMBL391723 0.90 ALDH1A1 (0.37) ALDH1A1FGFR1KDM4E
SCHEMBL2947657 0.87 POLQ (0.33) CDK4CCND1ALDH1A1MAPK14FGFR1
SCHEMBL394127 0.83 LIMK1 (0.31) LIMK1KDM4E
SCHEMBL2923179 0.80 TDO2 (0.39) CDK4CCND1MAPK14FGFR1KDM4E
SCHEMBL27774845 0.78 AAK1 (0.32) ALDH1A1
SCHEMBL391710 0.76 SCN9A (0.38) CDK4CCND1FGFR1EGFR
SCHEMBL2878488 0.76 CDK4 (0.32) CDK4CCND1
SCHEMBL2878614 0.75 JAK2 (0.37)
SCHEMBL594142 0.75 CA12 (0.30)

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
US-8101628-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP disclosed
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 US disclosed
EP-2125793-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER Eli Lilly & Company (US) 2009-12-02 EP disclosed
WO-2008076704-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT' OF CANCER ELI LILLY AND COMPANY (US) 2008-06-26 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 (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-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, BUB1B, BUB1 PIP4K2A 331/4885PDE1A 4519/4885PDE1B 3834/4885

“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.