SCHEMBL14723216

SCHEMBL14723216

CC(c1ccccc1)n1cc(N)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 12/20 0.51
▸ KLKB1 P03952 1/20 0.43
▸ BRD4 O60885 5/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
Hydrochloric Acid SCHEMBL27919850 0.98 CREBBP (0.50) CREBBPKLKB1BRD4CYP2D6KDM4E
SCHEMBL24782390 0.84 CREBBP (0.38) CREBBPKLKB1BRD4LMNANPSR1
SCHEMBL15564195 0.84 CREBBP (0.52) CREBBPKLKB1BRD4CYP2D6MEN1
SCHEMBL15565681 0.83 CREBBP (0.55) CREBBPKDM4E
SCHEMBL20472459 0.83 MAPT (0.44) CREBBPLMNAALDH1A1
SCHEMBL19531635 0.80 CREBBP (0.52) CREBBPKLKB1BRD4CYP2D6KDM4E
SCHEMBL19531666 0.80 CREBBP (0.52) CREBBPKLKB1BRD4CYP2D6KDM4E
SCHEMBL19538830 0.80 CREBBP (0.52) CREBBPKLKB1BRD4CYP2D6KDM4E
SCHEMBL17680597 0.80 CREBBP (0.52) CREBBPKLKB1BRD4CYP2D6KDM4E
SCHEMBL19531660 0.80 CREBBP (0.52) CREBBPKLKB1BRD4CYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
EP-2748158-B1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-24 — — EP disclosed
EP-2602254-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-06-14 — — EP disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9579407-B2 Radiolabeled compounds and their use as radiotracers for quantitative imaging of phosphodiesterase (PDE10A) in mammals TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-28 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-9090586-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-28 — — US disclosed
EP-2748158-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS Takeda Pharmaceutical Company Limited (JP) 2014-07-02 — — EP disclosed
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-26 — — US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
US-20130150344-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-13 — — US disclosed
EP-2602254-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-06-12 — — EP disclosed
WO-2013027845-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 — — 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CREBBP 2058/4885KLKB1 974/4885BRD4 2023/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CREBBP 2517/4885KLKB1 1239/4885BRD4 1732/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CREBBP 2058/4885KLKB1 974/4885BRD4 2023/4885
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS PDE5A, PDE3B, PDE3A CREBBP 1639/4885KLKB1 2864/4885BRD4 2153/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CREBBP 2046/4885KLKB1 990/4885BRD4 1774/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CREBBP 2046/4885KLKB1 990/4885BRD4 1774/4885
US-20130150344-A1 HETEROCYCLIC COMPOUND PDE5A, PDE3A, PDE3B CREBBP 539/4885KLKB1 4077/4885BRD4 552/4885

“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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