SCHEMBL18200315

SCHEMBL18200315

c1cncc(-c2cccc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.45
CYP19A1 P11511 2/20 0.45
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
DHODH Q02127 1/20 0.42
CYP1A1 P04798 1/20 0.42
PRKDC P78527 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP2A6 P11509 3/20 0.41
HPGD P15428 2/20 0.41
F2 P00734 1/20 0.41
CYP11B1 P15538 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL18200658 0.94 DHODH (0.47) CYP2C9CYP19A1KDM4EKMT2ACYP1A2
SCHEMBL18346964 0.92 CYP19A1 (0.53) CYP2C9CYP19A1KDM4EKMT2ACYP1A2
SCHEMBL18201068 0.92 CYP19A1 (0.53) CYP2C9CYP19A1KDM4EKMT2ACYP1A2
SCHEMBL18201054 0.92 DHODH (0.46) CYP2C9CYP19A1KDM4EKMT2ACYP1A2
SCHEMBL18201052 0.91 DHODH (0.47) CYP2C9CYP19A1KDM4EKMT2ACYP1A2
SCHEMBL17034881 0.90 CYP11B1 (0.49) CYP2C9CYP19A1KDM4EKMT2ACYP1A2
SCHEMBL18200656 0.88 KDM4E (0.52) CYP2C9KDM4EKMT2ACYP1A2DHODH
SCHEMBL18200377 0.88 CYP19A1 (0.54) CYP2C9CYP19A1KDM4EKMT2ACYP1A2
SCHEMBL18200728 0.87 ALDH1A1 (0.46) CYP2C9KDM4EKMT2ACYP1A2HPGD
SCHEMBL18200999 0.86 CYP19A1 (0.58) CYP2C9CYP19A1KDM4EKMT2ACYP1A2

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 CYP2C9 31/4885CYP19A1 371/4885KDM4E 1977/4885

“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.