SCHEMBL18200499

SCHEMBL18200499

O=P(c1ccccc1)(c1ccccc1)c1cc2c(-c3ccc4ccccc4c3)nc3ccccc3c2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
TOP1 P11387 1/20 0.36
CYP2C9 P11712 3/20 0.35
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
GSTP1 P09211 1/20 0.32
UTRN P46939 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL18200495 0.91 TOP1 (0.38) DHODHTOP1CYP2C9ADORA2AADORA1
SCHEMBL17035150 0.89 NUDT1 (0.40) DHODHTOP1ADORA2AMEN1KMT2A
SCHEMBL18200991 0.87 DHODH (0.36) DHODHTOP1CYP2C9ADORA2AADORA1
SCHEMBL20249897 0.86 NUDT1 (0.40) DHODHADORA2AMEN1KMT2AKDM4E
SCHEMBL20967904 0.85 TOP1 (0.48) DHODHTOP1ADORA2AMAPK10MAPT
SCHEMBL18346972 0.83 TOP1 (0.36) DHODHTOP1CYP2C9ADORA2AADORA1
SCHEMBL18346971 0.83 ADORA2A (0.36) DHODHTOP1CYP2C9ADORA2AADORA1
SCHEMBL18200769 0.82 ADORA2A (0.34) DHODHTOP1CYP2C9ADORA2AADORA1
SCHEMBL18346942 0.80 DHODH (0.36) DHODHCYP2C9ADORA2AADORA1HTR2B
SCHEMBL18346943 0.80 SRC (0.36) DHODHCYP2C9ADORA2AADORA1HTR2B

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 33/4885TOP1 3101/4885CYP2C9 31/4885

“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.