SCHEMBL18201054

SCHEMBL18201054

c1cncc(-c2cccc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
CYP2C9 P11712 6/20 0.43
CYP19A1 P11511 2/20 0.43
CYP2A6 P11509 2/20 0.42
HPGD P15428 3/20 0.41
F2 P00734 1/20 0.41
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1A1 P04798 1/20 0.40
PRKDC P78527 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B2 P19099 1/20 0.40
MEN1 O00255 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 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
SCHEMBL18201052 0.99 DHODH (0.47) DHODHCYP2C9CYP19A1CYP2A6HPGD
SCHEMBL18200658 0.93 DHODH (0.47) DHODHCYP2C9CYP19A1CYP2A6HPGD
SCHEMBL18200315 0.92 CYP2C9 (0.45) DHODHCYP2C9CYP19A1CYP2A6HPGD
SCHEMBL18200999 0.89 CYP19A1 (0.58) DHODHCYP2C9CYP19A1CYP2A6HPGD
SCHEMBL17034871 0.89 CYP11B1 (0.48) DHODHCYP2C9CYP19A1CYP2A6HPGD
SCHEMBL18200377 0.89 CYP19A1 (0.54) DHODHCYP2C9CYP19A1CYP2A6HPGD
SCHEMBL18346975 0.88 KDM4E (0.49) DHODHCYP2C9HPGDKMT2AKDM4E
SCHEMBL18201050 0.86 KDM4E (0.48) DHODHCYP2C9HPGDKMT2AKDM4E
SCHEMBL18346964 0.86 CYP19A1 (0.53) DHODHCYP2C9CYP19A1CYP2A6HPGD
SCHEMBL18201068 0.86 CYP19A1 (0.53) DHODHCYP2C9CYP19A1CYP2A6HPGD

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 DHODH 33/4885CYP2C9 31/4885CYP19A1 371/4885

“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.