SCHEMBL5657863

SCHEMBL5657863

Nc1cccc2cnc(CCNC(=O)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
KMT2A Q03164 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 3/20 0.37
TRPV1 Q8NER1 1/20 0.37
MTNR1A P48039 1/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5659025 0.85 GLA (0.41) ADORA2AKMT2ARAB9ANPC1KDM4E
SCHEMBL11263067 0.80 LMNA (0.40) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL11490501 0.75 LMNA (0.43) KMT2ARAB9ANPC1KDM4EMAPT
SCHEMBL5757316 0.74 RAB9A (0.39) ADORA2AKMT2ARAB9ANPC1MEN1
SCHEMBL11252971 0.74 CHEK1 (0.48) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL6169454 0.73 CYP3A4 (0.44) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL11549823 0.73 GABRP (0.48) KMT2ARAB9ANPC1KDM4EMAPT
SCHEMBL11255211 0.72 KMT2A (0.45) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL11395776 0.71 LMNA (0.40) KMT2ARAB9ANPC1KDM4EMAPT
SCHEMBL11486204 0.70 KCNH2 (0.51) MAPTLMNACYP1A2CYP3A4CYP2D6

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 ADORA2A 87/4885KMT2A 4465/4885RAB9A 2378/4885

“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.