SCHEMBL2642978

SCHEMBL2642978

CC(C)C(=O)Nc1ccc(C[NH])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ MLYCD O95822 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PTGDR2 Q9Y5Y4 1/20 0.49
▸ RECQL P46063 1/20 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
SCHEMBL11742987 0.85 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL18880072 0.84 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL6029753 0.83 KMT2A (0.58) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL10223253 0.83 CRHBP (0.59) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL8952281 0.83 KMT2A (0.58) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL19911172 0.81 MAPT (0.65) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL2642980 0.81 CA12 (0.57) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL14349974 0.80 SPHK1 (0.56) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL21370329 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL27305302 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 — — US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 — — US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 — — US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 — — US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — 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 (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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 KMT2A 1297/4885MEN1 4502/4885ALDH1A1 1207/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 KMT2A 1311/4885MEN1 4528/4885ALDH1A1 1249/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 KMT2A 1297/4885MEN1 4502/4885ALDH1A1 1207/4885

“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.

Send feedback