SCHEMBL4353084

SCHEMBL4353084

Cc1cc(C(=O)c2ccccc2)ccc1C1=NC(C2=CC=C2)=C2C=NC=C[N+]12N

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
TNK2 Q07912 2/20 0.31
ALOX15 P16050 1/20 0.31
ABCC9 O60706 2/20 0.31
ABCC8 Q09428 2/20 0.31
KCNJ11 Q14654 2/20 0.31
KCNJ8 Q15842 2/20 0.31
PTPRC P08575 1/20 0.31
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 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
SCHEMBL4357785 0.89 ALOX15 (0.34) TNK2ALOX15PTPRC
SCHEMBL4362590 0.88 CYP1A2 (0.36) ALDH1A1HPGDTNK2ALOX15ABCC9
SCHEMBL4365532 0.85 MEN1 (0.33) RAB9ALMNA
SCHEMBL4356084 0.82 TNK2 (0.30) TNK2
SCHEMBL4357435 0.81 TNK2 (0.31) TNK2
SCHEMBL1129530 0.78 MAPT (0.33) POLBTNK2
SCHEMBL4354030 0.77 MAPK13 (0.33) TNK2ALOX15
SCHEMBL4365479 0.77 TNK2 (0.34) POLBALDH1A1HPGDSMN1; SMN2TNK2
SCHEMBL4362655 0.77 TNK2 (0.45) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2462686 0.75

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-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 POLB 3878/4885ALDH1A1 292/4885HPGD 1283/4885

“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.