SCHEMBL18201052

SCHEMBL18201052

c1cncc(-c2cccc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.47
CYP19A1 P11511 2/20 0.45
CYP2C9 P11712 6/20 0.43
CYP2A6 P11509 2/20 0.41
HPGD P15428 3/20 0.41
F2 P00734 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 3/20 0.40
KMT2A Q03164 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 0.39
MAPT P10636 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CLK4 Q9HAZ1 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
SCHEMBL18201054 0.99 DHODH (0.46) DHODHCYP19A1CYP2C9CYP2A6HPGD
SCHEMBL18200658 0.94 DHODH (0.47) DHODHCYP19A1CYP2C9CYP2A6HPGD
SCHEMBL18200315 0.91 CYP2C9 (0.45) DHODHCYP19A1CYP2C9CYP2A6HPGD
SCHEMBL18200999 0.91 CYP19A1 (0.58) DHODHCYP19A1CYP2C9CYP2A6HPGD
SCHEMBL17034871 0.90 CYP11B1 (0.48) DHODHCYP19A1CYP2C9CYP2A6HPGD
SCHEMBL18200377 0.90 CYP19A1 (0.54) DHODHCYP19A1CYP2C9CYP2A6HPGD
SCHEMBL18201050 0.88 KDM4E (0.48) DHODHCYP2C9HPGDKDM4ECYP1A2
SCHEMBL17034874 0.87 CYP19A1 (0.48) DHODHCYP19A1CYP2C9CYP2A6HPGD
SCHEMBL18346975 0.87 KDM4E (0.49) DHODHCYP2C9HPGDKDM4ECYP1A2
SCHEMBL18201009 0.86 CYP1A2 (0.50) CYP2C9HPGDKDM4ECYP1A2KMT2A

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 33/4885CYP19A1 371/4885CYP2C9 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.