SCHEMBL14661612

SCHEMBL14661612

[C]#CCN(C)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 6/20 0.66
▸ LMNA P02545 3/20 0.66
▸ TSHR P16473 2/20 0.66
▸ USP2 O75604 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ MAOA P21397 1/20 0.66
▸ MAOB P27338 1/20 0.66
▸ ALDH1A1 P00352 3/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ BLM P54132 1/20 0.63
▸ CARM1 Q86X55 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52
▸ PRMT8 Q9NR22 1/20 0.52
▸ AOC3 Q16853 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44

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
Dibemethine SCHEMBL276863 0.79 ALDH1A1 (0.70) PYCR1LMNATSHRUSP2CYP3A4
Dibemethine SCHEMBL10542007 0.79 ALDH1A1 (0.70) PYCR1LMNATSHRUSP2CYP3A4
Pargyline SCHEMBL18036659 0.79 PYCR1 (1.00) PYCR1LMNATSHRUSP2CYP3A4
Pargyline SCHEMBL2045 0.79 PYCR1 (1.00) PYCR1LMNATSHRUSP2CYP3A4
SCHEMBL2584302 0.79 PYCR1 (0.66) PYCR1LMNATSHRUSP2CYP3A4
SCHEMBL10684904 0.79 PYCR1 (0.66) PYCR1LMNATSHRUSP2CYP3A4
SCHEMBL7737898 0.78 CHRNB2 (0.67) PYCR1LMNATSHRUSP2CYP3A4
Pargyline SCHEMBL7363311 0.78 PYCR1 (0.96) PYCR1LMNATSHRUSP2CYP3A4
SCHEMBL14022799 0.78 PYCR1 (0.68) PYCR1LMNATSHRUSP2CYP3A4
Pargyline SCHEMBL121111 0.78 LMNA (1.00) PYCR1LMNATSHRUSP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736514-B1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-10-18 — — EP disclosed
US-8912200-B2 Alkynyl substituted pyrimidinyl-pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-16 — — US disclosed
US-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-10 — — US disclosed
EP-2736514-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-06-04 — — EP disclosed
WO-2013014039-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-31 — — 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 (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-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS JAK2, JAK1, SRC PYCR1 943/4885LMNA 4125/4885TSHR 3525/4885

“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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