SCHEMBL2019145

SCHEMBL2019145

CCCNc1nc(SC)ncc1C(=O)OCC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
SYK P43405 2/20 0.63
MAPT P10636 5/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
FOS P01100 1/20 0.59
JUN P05412 1/20 0.59
MAPK1 P28482 2/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL28456194 0.91 ALDH1A1 (0.75) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL1521580 0.90 ALDH1A1 (0.76) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL11157944 0.89 ALDH1A1 (1.00) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL11584083 0.89 ALDH1A1 (0.75) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL28734926 0.87 ALDH1A1 (0.76) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL29508864 0.87 ALDH1A1 (0.76) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL16446372 0.87 ALDH1A1 (0.72) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL1521842 0.85 ALDH1A1 (0.70) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL29545771 0.85 ALDH1A1 (0.70) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL23141936 0.85 ALDH1A1 (0.69) ALDH1A1SYKMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 EP disclosed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 EP disclosed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 EP disclosed
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 US disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 US disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-7956060-B2 Pyrimidine derivative compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-06-07 US disclosed
US-20090012060-A1 Antitumor Agent KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-01-08 US disclosed
EP-1749827-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-07 EP disclosed
EP-0018139-B1 PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR PREPARING THE PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1983-05-04 EP disclosed
US-4301281-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]-pyrimidine-6-carboxylic acid amides AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-17 US disclosed
US-4255568-A ANTIALLERGENS AND ANTISECRETORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-10 US disclosed
US-4236004-A 2-Alkylsulphonyl-7,8-dihydro-5-hydroxy-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-25 US disclosed
US-4233446-A 5-Chloro-7,8-dihydro-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-11 US disclosed
EP-0018139-A2 Pyrido (2,3-d) pyrimidine derivatives, pharmaceutical compositions containing them and processes for preparing the pyrido (2,3-d) pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-10-29 EP disclosed
US-4215216-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-07-29 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-20090012060-A1 Antitumor Agent NR1H3, NR1I3, NR0B1 ALDH1A1 1834/4885SYK 2303/4885MAPT 4746/4885
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK ALDH1A1 2846/4885SYK 1391/4885MAPT 2299/4885

“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.