SCHEMBL14727529

SCHEMBL14727529

Nc1nc(-c2cccnc2)nc2ccc(-c3ccccc3Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ USP1 O94782 1/20 0.47
▸ WDR48 Q8TAF3 1/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ CYP1A2 P05177 7/20 0.46
▸ CYP3A4 P08684 7/20 0.46
▸ CLK4 Q9HAZ1 6/20 0.46
▸ CYP2D6 P10635 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ TSHR P16473 4/20 0.46
▸ CYP2C19 P33261 4/20 0.46
▸ USP2 O75604 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PDE5A O76074 2/20 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
SCHEMBL14475206 0.86 MAP4K4 (0.53) SMN1; SMN2USP1WDR48ADORA2AADORA1
SCHEMBL14475029 0.84 PDE5A (0.51) SMN1; SMN2ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL14475072 0.83 MAP4K4 (0.53) SMN1; SMN2ADORA2AADORA1BACE1CYP1A2
SCHEMBL14727535 0.83 CYP1A2 (0.65) SMN1; SMN2TP53USP1WDR48CYP1A2
SCHEMBL14474587 0.83 CYP1A2 (0.65) SMN1; SMN2TP53USP1WDR48CYP1A2
SCHEMBL14475104 0.83 ALDH1A1 (0.48) SMN1; SMN2ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL14475159 0.83 MAP4K4 (0.56) SMN1; SMN2TP53USP1WDR48CYP1A2
SCHEMBL14475085 0.81 WNT1 (0.45) SMN1; SMN2USP1WDR48ADORA2AADORA1
SCHEMBL14475168 0.81 PIK3CA (0.49) SMN1; SMN2ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL14475037 0.80 MEN1 (0.59) SMN1; SMN2ADORA2AADORA1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 — — EP disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
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
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — 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 (4 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA SMN1; SMN2 3273/4885TP53 2089/4885USP1 2225/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG SMN1; SMN2 3347/4885TP53 1521/4885USP1 2128/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA SMN1; SMN2 3273/4885TP53 2089/4885USP1 2225/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB SMN1; SMN2 3987/4885TP53 2078/4885USP1 2108/4885

“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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