SCHEMBL19862157

SCHEMBL19862157

C1=Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3c(cc12)oc1ccccc13

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
DHODH Q02127 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 6/20 0.33
MAPT P10636 6/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 4/20 0.32
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
HPGD P15428 3/20 0.32

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
SCHEMBL19862171 0.97 PDK2 (0.36) PDK2CYP1A2CYP3A4CYP2C9DHODH
SCHEMBL19862190 0.96 DHODH (0.36) PDK2CYP1A2CYP3A4CYP2C9DHODH
SCHEMBL19862191 0.96 DHODH (0.36) PDK2CYP1A2CYP3A4CYP2C9DHODH
SCHEMBL19862163 0.96 DHODH (0.37) PDK2CYP1A2CYP3A4CYP2C9DHODH
SCHEMBL19862161 0.94 CYP1A2 (0.36) PDK2CYP1A2CYP3A4CYP2C9DHODH
SCHEMBL19862213 0.93 DHODH (0.36) PDK2CYP1A2CYP3A4CYP2C9DHODH
SCHEMBL19862206 0.93 DHODH (0.36) PDK2CYP1A2CYP3A4CYP2C9DHODH
SCHEMBL19862166 0.93 GAA (0.36) PDK2CYP1A2CYP3A4CYP2C9DHODH
SCHEMBL19862187 0.93 DHODH (0.37) PDK2CYP1A2CYP3A4CYP2C9DHODH
SCHEMBL19862123 0.93 AHR (0.33) ALDH1A1MAPTMEN1KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10454039-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-10-22 US disclosed
US-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US 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 (2 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-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ORC3, AOX1, RCOR3 PDK2 2964/4885CYP1A2 298/4885CYP3A4 216/4885
US-10454039-B2 Compound and organic electronic device using the same ORC3, AOX1, RCOR3 PDK2 2964/4885CYP1A2 298/4885CYP3A4 216/4885

“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.