SCHEMBL5657919

SCHEMBL5657919

Clc1c[c]c2ccncc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 5/20 0.36
IMPDH2 P12268 1/20 0.35
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
KCNH2 Q12809 1/20 0.31
AOC3 Q16853 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PRKCZ Q05513 1/20 0.31
CDC25B P30305 1/20 0.31
CYP2A6 P11509 2/20 0.30
DYRK1A Q13627 1/20 0.30
LMNA P02545 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
SCHEMBL5660013 0.78 CHUK (0.35) CHUKALDH1A1PKMPRKCZ
SCHEMBL5926099 0.78 IMPDH2 (0.33) IMPDH2ALDH1A1KDM4EPRKCZCYP2A6
SCHEMBL5658726 0.74 KIF11 (0.41) CHUK
SCHEMBL5658321 0.74 CYP11B2 (0.42) CHUKCYP19A1PDGFRBPDGFRAHPGD
SCHEMBL6931700 0.73 NOS1 (0.38) CHUKPDGFRBPDGFRACYP2A6DYRK1A
SCHEMBL9653515 0.73 CYP2A6 (0.44) ALDH1A1SMN1; SMN2CYP2A6LMNATP53
SCHEMBL275946 0.70 LMNA (0.33) IMPDH2KDM4EPRKCZLMNAHTT
SCHEMBL456729 0.70 CYP2A6 (0.46) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL449540 0.69 KDM4E (0.34) KDM4ELMNAHTT
SCHEMBL691988 0.68 PRKCZ (0.50) CHUKIMPDH2CYP19A1PDGFRBPDGFRA

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 CHUK 581/4885IMPDH2 3396/4885GAA 4073/4885

“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.