SCHEMBL10353467

SCHEMBL10353467

N[C@H]1CC[C@H](Nc2ncc3c(-c4cccc(NCc5ccccc5Cl)c4)n[nH]c3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 3/20 0.44
▸ MERTK Q12866 5/20 0.42
▸ AXL P30530 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ CCNE2 O96020 5/20 0.39
▸ CCNA2 P20248 5/20 0.39
▸ CCNE1 P24864 5/20 0.39
▸ CDK2 P24941 5/20 0.39
▸ CCNA1 P78396 5/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ CDK7 P50613 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ PAK4 O96013 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADORA2A P29274 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
SCHEMBL10323069 1.00 CCNT1 (0.44) CCNT1MERTKAXLTYRO3NTRK1
SCHEMBL10353613 0.89 MERTK (0.47) CCNT1MERTKAXLTYRO3CCNE2
SCHEMBL10324055 0.89 MERTK (0.47) CCNT1MERTKAXLTYRO3CCNE2
SCHEMBL10322858 0.88 CCNT1 (0.47) CCNT1MERTKCCNE2CCNA2CCNE1
SCHEMBL10353042 0.88 CCNT1 (0.47) CCNT1MERTKCCNE2CCNA2CCNE1
SCHEMBL10354223 0.83 FLT3 (0.42) CCNT1MERTKAXLTYRO3CCNE2
SCHEMBL10353580 0.83 CDK2 (0.41) CCNT1MERTKAXLTYRO3CCNE2
SCHEMBL10323278 0.83 FLT3 (0.42) CCNT1MERTKAXLTYRO3CCNE2
SCHEMBL10322577 0.83 CDK2 (0.41) CCNT1MERTKAXLTYRO3CCNE2
SCHEMBL11892629 0.81 ROCK2 (0.42) NTRK1IGF1RPAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — 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-20120184508-A1 PYRAZOLO PYRIMIDINES TYMS, TYMP, TP53 CCNT1 182/4885MERTK 2006/4885AXL 1246/4885

“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.

Send feedback