SCHEMBL16183299

SCHEMBL16183299

Cc1nc(-c2cccnc2)nc2cccc(-c3ccccc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.52
▸ CYP1A2 P05177 5/20 0.52
▸ CYP3A4 P08684 5/20 0.52
▸ TSHR P16473 5/20 0.52
▸ CLK4 Q9HAZ1 4/20 0.52
▸ CYP2D6 P10635 4/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ MAPT P10636 5/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ POLB P06746 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CLK1 P49759 1/20 0.48

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
SCHEMBL21348278 0.81 CYP1A2 (0.67) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL12170689 0.76 KCNA5 (0.77) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL27904599 0.75 SMN1; SMN2 (0.46) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL27904608 0.75 SMN1; SMN2 (0.46) ALDH1A1CYP1A2CYP3A4TSHRCLK4
Hydrochloric Acid SCHEMBL27887822 0.74 SMN1; SMN2 (0.45) ALDH1A1CYP1A2CYP3A4TSHRCLK4
Hydrochloric Acid SCHEMBL27887778 0.74 SMN1; SMN2 (0.45) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL12170690 0.74 PDE5A (0.74) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL16716602 0.73 CYP19A1 (0.50) KCNA5KCNH2ALDH1A1CYP3A4TSHR
SCHEMBL12169992 0.73 KCNA5 (1.00) KCNA5KCNH2JAK2LCKLYN
SCHEMBL17829276 0.72 CYP11B1 (0.49) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4

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 1 patent. 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

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 KCNA5 4457/4885KCNH2 4620/4885ALDH1A1 1687/4885

“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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