SCHEMBL5123263

SCHEMBL5123263

CCc1cc2c(NCc3ccc(F)cc3)nc(-n3cccn3)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
VCAM1 P19320 1/20 0.47
MEN1 O00255 3/20 0.41
PRKCI P41743 3/20 0.41
KMT2A Q03164 2/20 0.40
ABL1 P00519 1/20 0.39
FYN P06241 1/20 0.39
SRC P12931 1/20 0.39
FLT3 P36888 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 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
SCHEMBL5122004 0.92 ICAM1 (0.56) ICAM1SELEVCAM1MEN1PRKCI
SCHEMBL5127962 0.88 FLT3 (0.40) MEN1KMT2AABL1FYNSRC
SCHEMBL5128132 0.87 ICAM1 (0.42) ICAM1SELEVCAM1MEN1PRKCI
SCHEMBL5129237 0.86 USP1 (0.41) MEN1KMT2AABL1FYNSRC
SCHEMBL5122122 0.86 ICAM1 (0.47) ICAM1SELEVCAM1MEN1PRKCI
SCHEMBL5130525 0.86 MEN1 (0.45) ICAM1SELEVCAM1MEN1PRKCI
SCHEMBL5123682 0.86 HRH4 (0.41) MEN1KMT2AABL1FYNSRC
SCHEMBL5123207 0.85 MAPT (0.43) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL5129649 0.85 ICAM1 (0.40) ICAM1SELEVCAM1MEN1PRKCI
SCHEMBL5129257 0.84 PDE5A (0.49) ICAM1SELEVCAM1PRKCI

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-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 ICAM1 1914/4885SELE 1976/4885VCAM1 1766/4885

“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.