SCHEMBL18201068

SCHEMBL18201068

c1cncc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)cc(-c3cccnc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.53
CYP2C9 P11712 5/20 0.47
DHODH Q02127 1/20 0.44
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
PRKDC P78527 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B2 P19099 1/20 0.41
F2 P00734 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
CYP2A6 P11509 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL18346964 1.00 CYP19A1 (0.53) CYP19A1CYP2C9DHODHKDM4EKMT2A
SCHEMBL18200377 0.96 CYP19A1 (0.54) CYP19A1CYP2C9DHODHKDM4EKMT2A
SCHEMBL18200999 0.92 CYP19A1 (0.58) CYP19A1CYP2C9DHODHKDM4EKMT2A
SCHEMBL18200315 0.92 CYP2C9 (0.45) CYP19A1CYP2C9DHODHKDM4EKMT2A
SCHEMBL17034881 0.92 CYP11B1 (0.49) CYP19A1CYP2C9DHODHKDM4EKMT2A
SCHEMBL18200658 0.91 DHODH (0.47) CYP19A1CYP2C9DHODHKDM4EKMT2A
SCHEMBL18201080 0.89 HPGD (0.44) DHODHKDM4EKMT2AHPGDMAPT
SCHEMBL17034898 0.88 ALDH1A1 (0.54) CYP19A1CYP2C9DHODHKDM4EKMT2A
SCHEMBL18346963 0.88 ALDH1A1 (0.54) CYP19A1CYP2C9DHODHKDM4EKMT2A
SCHEMBL18200885 0.87 ALDH1A1 (0.45) CYP19A1CYP2C9KDM4EKMT2ACYP1A2

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 CYP19A1 371/4885CYP2C9 31/4885DHODH 33/4885

“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.