SCHEMBL19862205

SCHEMBL19862205

C1=Cc2ccc(-c3nc(-c4ccccc4)nc(-c4cccnc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.34
PDK2 Q15119 3/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CLK4 Q9HAZ1 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 2/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL19862110 0.97 PDK2 (0.35) GBA1PDK2ALDH1A1CYP1A2CYP3A4
SCHEMBL19862134 0.94 PDK2 (0.35) GBA1PDK2ALDH1A1CYP2C9MEN1
SCHEMBL19862209 0.94 DHODH (0.35) GBA1PDK2ALDH1A1MEN1GLA
SCHEMBL19862138 0.93 ALOX5 (0.33)
SCHEMBL19862155 0.93 DHODH (0.35) GBA1PDK2MEN1GLAKMT2A
SCHEMBL19862120 0.93 DHODH (0.35) GBA1PDK2MEN1GLAKMT2A
SCHEMBL19862151 0.92 ALOX5 (0.33)
SCHEMBL19862207 0.91 PDK2 (0.33) PDK2
SCHEMBL19862188 0.91 PDK2 (0.33) PDK2
SCHEMBL19862159 0.90 PDK2 (0.32) GBA1PDK2ALDH1A1NPC1POLB

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 GBA1 3449/4885PDK2 2964/4885ALDH1A1 976/4885
US-10454039-B2 Compound and organic electronic device using the same ORC3, AOX1, RCOR3 GBA1 3449/4885PDK2 2964/4885ALDH1A1 976/4885

“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.