SCHEMBL2845694

SCHEMBL2845694

CCCCCc1c(C)nc2ccccn2c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
ENPP2 Q13822 1/20 0.59
ACHE P22303 1/20 0.51
ADRA1A P35348 5/20 0.51
ADRA2A P08913 4/20 0.51
ADRA2B P18089 4/20 0.51
ADRA2C P18825 4/20 0.51
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 4/20 0.48
HTR1A P08908 2/20 0.48
HTR2C P28335 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
THPO P40225 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11362274 0.99 MAPT (0.67) MAPTENPP2ACHEADRA1AADRA2A
Hydrochloric Acid SCHEMBL11357613 0.97 MAPT (0.66) MAPTENPP2ACHEADRA1AADRA2A
SCHEMBL6216602 0.96 MAPT (0.75) MAPTENPP2ACHEADRA1AADRA2A
Hydrochloric Acid SCHEMBL11369794 0.94 MAPT (0.73) MAPTENPP2ACHEADRA1AADRA2A
SCHEMBL11352383 0.91 MAPT (0.64) MAPTENPP2ACHEADRA1AADRA2A
Hydrochloric Acid SCHEMBL11357339 0.90 MAPT (0.63) MAPTENPP2ACHEADRA1AADRA2A
Bromide SCHEMBL11357125 0.90 MAPT (0.63) MAPTENPP2ACHEADRA1AADRA2A
SCHEMBL1444060 0.85 ENPP2 (0.65) MAPTENPP2ACHEADRA1AADRA2A
SCHEMBL6501337 0.85 ENPP2 (0.64) MAPTENPP2ACHEADRA1AADRA2A
SCHEMBL6491197 0.84 ENPP2 (0.60) MAPTENPP2ACHEADRA1AADRA2A

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-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 MAPT 1674/4885ENPP2 1585/4885ACHE 3401/4885

“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.