SCHEMBL19862269

SCHEMBL19862269

C1=Cc2ccc(-c3cc(-c4ccc(-c5cccnc5)nc4)nc(-c4ccccc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2sc3ccccc3c12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DHODH Q02127 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL19862264 0.98 PDK2 (0.32) PDK2NPC1ALDH1A1POLBHPGD
SCHEMBL19862270 0.97 PDK2 (0.33) PDK2NPC1ALDH1A1POLBHPGD
SCHEMBL19862261 0.96 PDK2 (0.35) PDK2NPC1ALDH1A1POLBHPGD
SCHEMBL19862265 0.93 DHODH (0.35) PDK2NPC1ALDH1A1POLBHPGD
SCHEMBL19862260 0.93 DHODH (0.35) PDK2NPC1ALDH1A1POLBHPGD
SCHEMBL19862266 0.93 PDK2 (0.35) PDK2NPC1ALDH1A1POLBHPGD
SCHEMBL20224509 0.91 PDK2 (0.34) PDK2NPC1ALDH1A1POLBHPGD
SCHEMBL19862272 0.91 DHODH (0.35) PDK2NPC1ALDH1A1POLBHPGD
SCHEMBL19862262 0.90 PDK2 (0.35) PDK2NPC1ALDH1A1POLBHPGD
SCHEMBL19862267 0.90

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 2964/4885NPC1 4499/4885ALDH1A1 976/4885
US-10454039-B2 Compound and organic electronic device using the same ORC3, AOX1, RCOR3 PDK2 2964/4885NPC1 4499/4885ALDH1A1 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.