SCHEMBL4152103

SCHEMBL4152103

Cc1cccnc1-c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.51
SLC22A12 Q96S37 1/20 0.51
CYP11B2 P19099 1/20 0.47
TDO2 P48775 1/20 0.46
TRPV1 Q8NER1 7/20 0.44
SMO Q99835 1/20 0.44
SQOR Q9Y6N5 2/20 0.44
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SLC11A2 P49281 1/20 0.42
EGLN2 Q96KS0 2/20 0.41

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
SCHEMBL3969167 0.82 CYP2A6 (0.51) CYP2A6SLC22A12TRPV1CNR2
SCHEMBL10094707 0.81 CLK4 (0.60) CYP2A6TDO2
SCHEMBL2477267 0.79 TRPV1 (0.62) CYP2A6TRPV1CNR2ALDH1A1
SCHEMBL9988420 0.79 SLC22A12 (0.48) SLC22A12CYP11B2TDO2TRPV1EGLN2
SCHEMBL28415529 0.79 SLC22A12 (0.48) SLC22A12CYP11B2TDO2TRPV1CNR2
SCHEMBL2142400 0.79 KDM4E (0.56) SLC22A12CYP11B2TDO2TRPV1ALDH1A1
SCHEMBL9987695 0.79 SLC22A12 (0.48) SLC22A12CYP11B2TDO2TRPV1
SCHEMBL10061101 0.79 SLC22A12 (0.48) SLC22A12CYP11B2TDO2TRPV1SMO
SCHEMBL22628964 0.78 CYP2A6 (0.47) CYP2A6CYP11B2TRPV1SQORCNR2
SCHEMBL2140701 0.78 SLC22A12 (0.48) SLC22A12CYP11B2TDO2TRPV1SQOR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 US disclosed
US-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US disclosed
CN-101410375-B Process for producing aromatic compound SUMITOMO CO LTD 2012-06-13 CN disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
CN-101410375-A Process for producing aromatic compound SUMITOMO CHEMICAL CO (JP) 2009-04-15 CN disclosed
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 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 (3 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-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES URB2, ELANE, NUDT1 CYP2A6 1067/4885SLC22A12 1662/4885CYP11B2 564/4885
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND AHR, CYP1A1, ARNT CYP2A6 89/4885SLC22A12 2058/4885CYP11B2 7/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CYP2A6 2573/4885SLC22A12 1217/4885CYP11B2 2950/4885

“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.