SCHEMBL20910541

SCHEMBL20910541

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ABCG2 Q9UNQ0 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ IDO2 Q6ZQW0 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL20910456 0.97 DHODH (0.35) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910534 0.96 KIF11 (0.33) KIF11DHODHCYP1A2CYP3A4CYP2C9
SCHEMBL21090058 0.93 DHODH (0.35) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910679 0.93 DHODH (0.34) KIF11DHODHCYP1A2CYP3A4CYP2C9
SCHEMBL20910523 0.92 DHODH (0.32) KIF11DHODHCYP1A2CYP3A4CYP2C9
SCHEMBL20910849 0.91 PPARG (0.33) KIF11DHODHCYP1A2CYP3A4CYP2C9
SCHEMBL20910540 0.91 KIF11 (0.36) KIF11DHODHADORA3ABCG2PDE2A
SCHEMBL20910682 0.90 DHODH (0.32) DHODHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20910814 0.90 KIF11 (0.36) KIF11DHODHCYP1A2CYP3A4CYP2C9
SCHEMBL20910891 0.89 KIF11 (0.39) KIF11DHODHABCG2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10998504-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-05-04 — — US disclosed
US-20190115544-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-18 — — 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-10998504-B2 Organic molecules for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 KIF11 451/4885DHODH 352/4885CYP1A2 1714/4885
US-20190115544-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD1, OCIAD2, POU2F1 KIF11 451/4885DHODH 352/4885CYP1A2 1714/4885

“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.

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