SCHEMBL14474140

SCHEMBL14474140

CNc1nc(-c2ccccn2)nc2ccc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ ABCG2 Q9UNQ0 3/20 0.44
▸ ABCB1 P08183 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ METAP1 P53582 2/20 0.43
▸ METAP2 P50579 1/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42

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
SCHEMBL14727819 0.87 CYP1A2 (0.44) LMNAKDM4ESMN1; SMN2MAPK1CYP1A2
SCHEMBL14727814 0.87 DHODH (0.43) LMNAKDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL14475187 0.86 FEN1 (0.43) LMNAKDM4ESMN1; SMN2RAB9AMAPK1
SCHEMBL16183246 0.84 METAP1 (0.45) LMNAKDM4ESMN1; SMN2HTTRAB9A
SCHEMBL14475060 0.82 LATS1 (0.51) LMNAKDM4ESMN1; SMN2MAPK1ABCG2
SCHEMBL14727806 0.81 PDE5A (0.40) LMNAKDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL14474671 0.81 L3MBTL1 (0.47) LMNAKDM4ESMN1; SMN2HTTRAB9A
SCHEMBL14475213 0.81 CYP1A2 (0.59) LMNAKDM4EHTTRAB9AMAPK1
SCHEMBL16183249 0.81 METAP2 (0.44) LMNAKDM4ESMN1; SMN2HTTRAB9A
SCHEMBL14727816 0.81 GBA1 (0.42) LMNAKDM4ESMN1; SMN2MAPK1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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 (3 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 LMNA 4848/4885KDM4E 1215/4885SMN1; SMN2 3273/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG LMNA 4874/4885KDM4E 1069/4885SMN1; SMN2 3347/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA LMNA 4848/4885KDM4E 1215/4885SMN1; SMN2 3273/4885

“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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