SCHEMBL1345811

SCHEMBL1345811

[CH2]COc1ccc(F)cc1-c1cccc2ccsc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
BRD4 O60885 1/20 0.33
CTSA P10619 1/20 0.32
CYP2A6 P11509 1/20 0.32
TRPA1 O75762 1/20 0.31
PDE5A O76074 1/20 0.31
PTGER1 P34995 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL1345599 0.75 NPC1 (0.41) HTR2AHTR2CHTR2BCYP2A6PIM1
SCHEMBL1345691 0.73 PDK2 (0.43) HTR2AHTR2CHTR2B
SCHEMBL29702997 0.69 CYP17A1 (0.43) CYP2A6
SCHEMBL1547757 0.64 ALDH1A1 (0.43) TRPA1
SCHEMBL2919380 0.64 ALDH1A1 (0.36) HTR2AHTR2CTRPA1PDE5A
SCHEMBL391666 0.64 CYP2A6 (0.38) HTR2AHTR2BBRD4CYP2A6PIM1
SCHEMBL13319523 0.64 CYP2A6 (0.43) HTR2AHTR2CCYP2A6PIM1
SCHEMBL3792044 0.62 CYP2A6 (0.42) CYP2A6
SCHEMBL4439252 0.62 ATR (0.37) HTR2AHTR2CHTR2BCYP2A6
SCHEMBL22336266 0.62 HTR2A (0.37) HTR2AHTR2CHTR2BCYP2A6CYP1A2

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-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 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-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP HTR2A 2804/4885HTR2C 2055/4885HTR2B 2519/4885

“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.