SCHEMBL509641

SCHEMBL509641

[CH2]CNC(=O)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
EPHX2 P34913 1/20 0.58
MEN1 O00255 4/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
TSHR P16473 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53

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
SCHEMBL7231323 0.86 KMT2A (0.69) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL9341104 0.85 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL31658991 0.85 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL28244458 0.83 KMT2A (0.65) KMT2ASMN1; SMN2EPHX2MEN1HTT
SCHEMBL1503134 0.83 KMT2A (0.65) KMT2ASMN1; SMN2EPHX2MEN1HTT
SCHEMBL7387279 0.83 SMN1; SMN2 (0.74) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL1642941 0.82 SMN1; SMN2 (0.72) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL8516755 0.81 SMN1; SMN2 (0.90) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL957005 0.81 KMT2A (0.63) KMT2ASMN1; SMN2EPHX2MEN1HTT
SCHEMBL16215618 0.81 KMT2A (0.63) KMT2ASMN1; SMN2EPHX2MEN1HTT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131374-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PENEM DERIVATIVES PFIZER INC. (US) 1988-11-23 EP claimed
US-4619783-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US claimed
EP-0131374-A1 Process and intermediates for the preparation of penem derivatives PFIZER INC. (US) 1985-01-16 EP claimed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP claimed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
EP-0131374-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PENEM DERIVATIVES PFIZER INC. (US) 1988-11-23 EP disclosed
EP-0215355-A2 Erythromycin derivative and process for preparing the same KITASATO KENKYUSHO (JP) 1987-03-25 EP disclosed
EP-0213617-A2 Digestive tract contractile motion stimulant KITASATO KENKYUSHO (JP) 1987-03-11 EP disclosed
US-4619783-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US disclosed
EP-0131374-A1 Process and intermediates for the preparation of penem derivatives PFIZER INC. (US) 1985-01-16 EP disclosed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP disclosed
US-3992388-A INTERMEDIATE FOR SULFAMYLUREA HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-11-16 US disclosed
US-3933830-A FROM 4-(2-PYRIDYLAMIDOETHYL) PYRIDINES REDUCED WITH HYDROGEN AND A NOBLE METAL CATALYST PFIZER INC. (US) 1976-01-20 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 (2 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 KMT2A 2507/4885SMN1; SMN2 3225/4885EPHX2 2974/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KMT2A 3500/4885SMN1; SMN2 3432/4885EPHX2 3160/4885

“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.