SCHEMBL18201309

SCHEMBL18201309

c1cncc(-c2cccc(-c3ccc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)cc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.46
▸ CYP19A1 P11511 2/20 0.46
▸ CYP17A1 P05093 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ DHODH Q02127 1/20 0.43
▸ CYP2C9 P11712 4/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2A6 P11509 2/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37

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
SCHEMBL18200689 0.95 CYP11B1 (0.46) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18201203 0.95 CYP11B1 (0.45) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18200642 0.94 CYP11B1 (0.47) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18201082 0.92 CYP19A1 (0.52) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18200779 0.91 CYP19A1 (0.49) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18200634 0.90 CYP11B1 (0.47) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18200644 0.90 CYP11B1 (0.47) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18201302 0.89 KDM4E (0.46) DHODHCYP2C9NPC1RAB9AHPGD
SCHEMBL18201191 0.87 CYP11B1 (0.48) CYP11B1CYP19A1CYP17A1CYP11B2CYP2C9
SCHEMBL18200690 0.87 KDM4E (0.45) DHODHCYP2C9NPC1RAB9AHPGD

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 CYP11B1 1123/4885CYP19A1 371/4885CYP17A1 2588/4885

“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.

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