SCHEMBL5659020

SCHEMBL5659020

COc1cc(N)c2ccncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
HASPIN Q8TF76 1/20 0.49
LMNA P02545 1/20 0.49
CLK1 P49759 5/20 0.43
CDK5 Q00535 5/20 0.43
CDK5R1 Q15078 5/20 0.43
DYRK1A Q13627 4/20 0.43
CLK2 P49760 3/20 0.43
CLK3 P49761 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
DYRK1B Q9Y463 3/20 0.43
CHUK O15111 1/20 0.43
IMPDH2 P12268 2/20 0.42
CYP1A1 P04798 1/20 0.42

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
SCHEMBL21917154 0.81 CHUK (0.44) CYP1A2CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL25155913 0.76 DYRK1A (0.55) CYP11B1CYP11B2HASPINCLK1CDK5
SCHEMBL30344410 0.76 DYRK1A (0.55) CYP11B1CYP11B2HASPINCLK1CDK5
SCHEMBL30344495 0.75 HASPIN (0.40) CYP1A2CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL25156302 0.75 HASPIN (0.40) CYP1A2CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL5659114 0.74 LMNA (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1408749 0.74 CYP1A2 (0.52) CYP1A2CYP3A4KDM4E
SCHEMBL5656944 0.73 IMPDH2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25625872 0.72 CYP11B2 (0.53) CYP1A2CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL11368164 0.72 SYK (0.58) CYP1A2CYP11B1CYP11B2CYP3A4CYP2D6

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 CYP1A2 464/4885CYP11B1 687/4885CYP11B2 1030/4885

“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.