SCHEMBL16648786

SCHEMBL16648786

CCSc1ccccc1-n1cc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.39
PDE10A Q9Y233 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
APLNR P35414 1/20 0.32
SLC27A1 Q6PCB7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 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
SCHEMBL16870847 0.90 DDR1 (0.39) DDR1PDE10ABACE1CNR2MEN1
SCHEMBL16867099 0.84 DDR1 (0.36) DDR1PDE10AALDH1A1BACE1MEN1
SCHEMBL16867086 0.83 NPC1 (0.37) PDE10AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL17504821 0.81 ALDH1A1 (0.37) DDR1ALDH1A1APLNRHIF1A
SCHEMBL16648948 0.78 DDR1 (0.47) DDR1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL21484056 0.77 NOTUM (0.37) PDE10AALDH1A1BACE1MEN1CYP1A2
SCHEMBL16870923 0.72 DDR1 (0.41) DDR1PDE10A
SCHEMBL29624418 0.71 KEAP1 (0.46) ALDH1A1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL20526107 0.71 KEAP1 (0.46) ALDH1A1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL20526096 0.71 ABCG2 (0.40) GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271500-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-01 US disclosed
US-9271500-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-01 US disclosed
US-20150181880-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-02 US disclosed
US-20150181880-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-02 US disclosed
EP-2862853-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Co., Ltd (JP) 2015-04-22 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-20150181880-A1 FUSED HETEROCYCLIC COMPOUND C5, CYC1, CYP1A1 DDR1 4244/4885PDE10A 2906/4885ALDH1A1 1621/4885

“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.