SCHEMBL2173473

SCHEMBL2173473

CN(C)Cc1cnc(N)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NOS1 P29475 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX2 P34913 1/20 0.44
TSHR P16473 1/20 0.42
CYP2A6 P11509 2/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
BACE1 P56817 1/20 0.34
CDK2 P24941 1/20 0.34

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 SCHEMBL308079 0.98 ALDH1A1 (0.45) ALDH1A1POLBMAPTTHRBHTT
SCHEMBL16964106 0.80 POLB (0.44) ALDH1A1POLBMAPTTHRBHTT
SCHEMBL2812175 0.80 SMN1; SMN2 (0.46) ALDH1A1POLBMAPTTHRBHTT
SCHEMBL2666936 0.77 POLB (0.41) ALDH1A1POLBMAPTTHRBHTT
SCHEMBL29793730 0.77 CYP2A6 (0.40) EPHX2CYP2A6CYP2D6CYP2C19
SCHEMBL13223227 0.77 KMT2A (0.44) ALDH1A1POLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL11613580 0.77 CYP2A6 (0.40) ALDH1A1POLBMAPTRECQLCYP2A6
SCHEMBL5875652 0.76 ALDH1A1 (0.38) ALDH1A1POLBMAPTTHRBHTT
SCHEMBL232903 0.76
SCHEMBL5875649 0.73 CYP2A6 (0.35) ALDH1A1HTTSMN1; SMN2TSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
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-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 EP disclosed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
CN-100378094-C Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2008-04-02 CN disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
CN-1747951-A Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2006-03-15 CN disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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 (4 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP ALDH1A1 590/4885POLB 4524/4885MAPT 9/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ALDH1A1 1207/4885POLB 4428/4885MAPT 4596/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 ALDH1A1 1249/4885POLB 4432/4885MAPT 4612/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ALDH1A1 1207/4885POLB 4428/4885MAPT 4596/4885

“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.