SCHEMBL2607666

SCHEMBL2607666

Cc1ccc(-c2nc3cncnc3n2Cc2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.48
CYP2C19 P33261 14/20 0.48
USP2 O75604 13/20 0.48
CYP2C9 P11712 12/20 0.48
CYP3A4 P08684 12/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 5/20 0.43
TSHR P16473 4/20 0.43
CYP2D6 P10635 2/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
AKT1 P31749 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL2607662 0.89 CYP1A2 (0.48) CYP1A2CYP2C19USP2CYP2C9CYP3A4
SCHEMBL2618364 0.84 ALDH1A1 (0.50) CYP2C19CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL3439910 0.81 BRD4 (0.49) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL10018495 0.78 TP53 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3439909 0.78 TP53 (0.46) CYP2C19ALDH1A1MEN1KMT2ALMNA
SCHEMBL2602437 0.78 ALDH1A1 (0.43) CYP2C19USP2ALDH1A1MEN1KMT2A
SCHEMBL2607308 0.78 ALDH1A1 (0.43) CYP1A2CYP2C19USP2CYP2C9CYP3A4
SCHEMBL2618367 0.73 KDM4E (0.44) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL2618368 0.73 ALDH1A1 (0.46) CYP2C19CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL3439914 0.72 ATM (0.47) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095027-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 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-20120095027-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES TYMP, MKI67, CCNI CYP1A2 1466/4885CYP2C19 635/4885USP2 4741/4885

“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.