SCHEMBL13097166

SCHEMBL13097166

Cc1cncc(-c2cccnc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.68
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP19A1 P11511 3/20 0.50
CYP2E1 P05181 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2B6 P20813 2/20 0.50
ALK Q9UM73 1/20 0.50
KMT2A Q03164 1/20 0.49
AXL P30530 1/20 0.47
PBRM1 Q86U86 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PTK2 Q05397 1/20 0.47
CYP2C19 P33261 1/20 0.46
METAP2 P50579 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46

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
SCHEMBL2614938 0.82 RAB9A (0.47) CYP2A6ALDH1A1CYP1A2KMT2AKDM4E
SCHEMBL3609216 0.81 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL12861647 0.78 CYP19A1 (0.66) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL1797323 0.78 CYP2A6 (0.64) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL17463142 0.78 CYP11B1 (0.46) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL24037028 0.77 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL30472669 0.77 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL3068958 0.77 HSP90AA1 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL30338445 0.77 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL14290173 0.77 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666807-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666807-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20160028017-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-28 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 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-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 CYP2A6 3442/4885CYP3A4 4525/4885ALDH1A1 1242/4885

“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.