SCHEMBL2642827

SCHEMBL2642827

[CH2]c1nc(C(=O)NCC)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
HPGD P15428 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CNR1 P21554 1/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC3 O15379 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL9070580 0.83 HIF1A (0.41) HIF1AHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL2642829 0.81 HIF1A (0.60) HIF1AHPGDCNR1HDAC1HDAC6
SCHEMBL163960 0.81 HIF1A (0.42) HIF1AHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL752655 0.80 HPGD (0.54) HIF1AHPGDCNR1GAAHDAC1
SCHEMBL2643525 0.79 HIF1A (0.41) HIF1AHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL2642628 0.79 ALDH1A1 (0.55) HIF1AHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL7218537 0.79 TLR7 (0.43) HIF1AHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL2643528 0.79 HIF1A (0.41) HIF1AHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL4498214 0.79 HIF1A (0.41) HIF1AHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL2642625 0.79 HIF1A (0.41) HIF1AHPGDCYP1A2CYP3A4CYP2C9

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-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
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP 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 HIF1A 851/4885HPGD 2127/4885CYP1A2 1518/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 HIF1A 882/4885HPGD 2159/4885CYP1A2 1602/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 HIF1A 851/4885HPGD 2127/4885CYP1A2 1518/4885

“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.