SCHEMBL19862262

SCHEMBL19862262

C1=Cc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2sc3ccccc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.35
DHODH Q02127 1/20 0.32
GBA1 P04062 1/20 0.32
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 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
RAB9A P51151 1/20 0.30
CYP19A1 P11511 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL19862272 0.96 DHODH (0.35) PDK2DHODHGBA1NPC1ALDH1A1
SCHEMBL19862260 0.95 DHODH (0.35) PDK2DHODHGBA1NPC1ALDH1A1
SCHEMBL19862265 0.95 DHODH (0.35) PDK2DHODHGBA1NPC1ALDH1A1
SCHEMBL19862261 0.93 PDK2 (0.35) PDK2DHODHGBA1NPC1ALDH1A1
SCHEMBL19862266 0.93 PDK2 (0.35) PDK2DHODHGBA1NPC1ALDH1A1
SCHEMBL19862257 0.93 MEN1 (0.31) POLBMEN1KMT2A
SCHEMBL19862259 0.92 MEN1 (0.31) POLBMEN1KMT2A
SCHEMBL19862256 0.91
SCHEMBL20224503 0.90 PDK2 (0.38) PDK2DHODHGBA1NPC1ALDH1A1
SCHEMBL19862270 0.90 PDK2 (0.33) PDK2DHODHNPC1ALDH1A1POLB

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 2964/4885DHODH 1612/4885GBA1 3449/4885
US-10454039-B2 Compound and organic electronic device using the same ORC3, AOX1, RCOR3 PDK2 2964/4885DHODH 1612/4885GBA1 3449/4885

“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.