SCHEMBL16184100

SCHEMBL16184100

COc1cccc2c(Nc3ccc(Cl)cn3)nc(-c3cccnc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ ABCG2 Q9UNQ0 7/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ USP2 O75604 4/20 0.48
▸ ABCB1 P08183 2/20 0.48
▸ CYP1A2 P05177 5/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ TSHR P16473 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL16184098 0.90 AURKA (0.52) AURKAAURKBABCG2MEN1KMT2A
SCHEMBL14473963 0.79 ABCG2 (0.61) ABCG2MEN1KMT2AUSP2ABCB1
SCHEMBL16184099 0.78 NPC1 (0.54) ABCG2MEN1KMT2AUSP2ABCB1
SCHEMBL16184163 0.76 CYP1A2 (0.51) ABCG2MEN1KMT2AUSP2ABCB1
SCHEMBL14358924 0.76 ABCG2 (0.50) ABCG2MEN1KMT2AUSP2ABCB1
SCHEMBL14474371 0.76 PDE5A (0.59) ABCG2MEN1KMT2AUSP2ABCB1
SCHEMBL16184094 0.74 PDE5A (0.52) ABCG2MEN1KMT2AUSP2ABCB1
SCHEMBL14475501 0.72 ABCG2 (0.55) ABCG2MEN1KMT2AUSP2ABCB1
SCHEMBL16183343 0.72 CYP1A2 (0.55) AURKAABCG2MEN1KMT2AUSP2
SCHEMBL14358708 0.72 KDM4E (0.49) ABCG2MEN1KMT2AUSP2ABCB1

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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — 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 (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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB AURKA 2190/4885AURKB 1803/4885ABCG2 1597/4885

“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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