SCHEMBL802722

SCHEMBL802722

Cc1ccccc1-c1cc(-c2ccncc2)nc(Nc2n[nH]c3c(F)cc(F)cc23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
EGFR P00533 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 4/20 0.35
AURKA O14965 1/20 0.35
SRC P12931 1/20 0.35
KMT2A Q03164 2/20 0.34
VCP P55072 1/20 0.34
POLB P06746 1/20 0.34
GSK3A P49840 1/20 0.34
PRKCH P24723 1/20 0.34

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
SCHEMBL801692 0.93 VCP (0.40) MAPTCYP1A2CYP3A4ALDH1A1EGFR
SCHEMBL12620023 0.88 USP1 (0.40) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL802375 0.86 ALDH1A1 (0.42) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL802337 0.83 GRM4 (0.45) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL10266779 0.80 ACP1 (0.42) MAPTCYP1A2CYP3A4SMN1; SMN2CYP2D6
SCHEMBL802720 0.79 CYP1A2 (0.46) CYP1A2CYP3A4ALDH1A1CLK4AURKA
SCHEMBL12619947 0.76 USP1 (0.46) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL801694 0.75 VCP (0.43) MAPTCYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL802122 0.75 AURKA (0.49) ALDH1A1CLK4NPC1RAB9ASMN1; SMN2
SCHEMBL802693 0.72 CYP1A2 (0.43) CYP1A2CYP3A4ALDH1A1CLK4EGFR

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MAPT 383/4885CYP1A2 3042/4885CYP3A4 2929/4885

“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.