SCHEMBL8053292

SCHEMBL8053292

Nc1nc(Cl)cc(NCCO)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 1.00
CYP2C19 P33261 1/20 1.00
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HRH4 Q9H3N8 5/20 0.57
KMT2A Q03164 3/20 0.45
POLA1 P09884 1/20 0.45
NUDT1 P36639 1/20 0.42
TLR8 Q9NR97 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41

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 SCHEMBL8049480 0.98 CYP2D6 (0.97) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4
SCHEMBL8055803 0.90 CYP2D6 (0.81) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4
Hydrochloric Acid SCHEMBL8053388 0.88 CYP2D6 (0.79) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4
SCHEMBL8048808 0.88 CYP2D6 (0.79) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4
Hydrochloric Acid SCHEMBL8049447 0.87 CYP2D6 (0.77) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4
SCHEMBL28845273 0.82 CYP2D6 (0.70) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4
SCHEMBL8597545 0.82 CYP2D6 (0.70) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4
SCHEMBL17315544 0.82 CYP2D6 (0.70) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4
SCHEMBL9217028 0.81 CYP2D6 (0.69) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4
SCHEMBL28265778 0.81 CYP2D6 (0.68) CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9301958-A None JP disclosed
EP-3849604-B1 GASTRIN-RELEASING PEPTIDE (GRP) INHIBITORS OR GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) ANTAGONISTS FOR USE IN TREATING AN INFLUENZA VIRUS INFECTION UNIV MARYLAND (US) 2024-05-01 EP disclosed
US-20220002399-A1 METHODS FOR DECREASING INFLUENZA-INDUCED LETHALITY USING GASTRIN-RELEASING PEPTIDE (GRP) INHIBITORS OR GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) ANTAGONISTS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-01-06 US disclosed
EP-3849604-A1 METHODS FOR DECREASING INFLUENZA-INDUCED LETHALITY USING GASTRIN-RELEASING PEPTIDE (GRP) INHIBITORS OR GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) ANTAGONISTS University of Maryland, Baltimore (US) 2021-07-21 EP disclosed
WO-2020055798-A1 METHODS FOR DECREASING INFLUENZA-INDUCED LETHALITY USING GASTRIN-RELEASING PEPTIDE (GRP) INHIBITORS OR GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) ANTAGONISTS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-03-19 WO disclosed
US-20150297591-A1 METHODS OF TREATING PULMONARY FIBROSIS UNIV DUKE (US) 2015-10-22 US disclosed
US-20150297591-A1 METHODS OF TREATING PULMONARY FIBROSIS UNIV DUKE (US) 2015-10-22 US disclosed
US-20130280270-A1 METHODS OF TREATING LUNG DISEASE AND OTHER INFLAMMATORY DISEASES UNIV DUKE (US) 2013-10-24 US disclosed
US-20130280270-A1 METHODS OF TREATING LUNG DISEASE AND OTHER INFLAMMATORY DISEASES UNIV DUKE (US) 2013-10-24 US disclosed
US-20120045441-A1 METHODS OF TREATING LUNG DISEASE AND OTHER INFLAMMATORY DISEASES SUNDAY MARY E (US) 2012-02-23 US disclosed
US-20120045441-A1 METHODS OF TREATING LUNG DISEASE AND OTHER INFLAMMATORY DISEASES SUNDAY MARY E (US) 2012-02-23 US disclosed
US-7326717-B2 Pyrimidine n-oxide compounds for stimulating the growth of keratin fibers and/or reducing loss thereof L'OREAL (FR) 2008-02-05 US disclosed
EP-1475376-B1 Hair composition containing a pyrimidine-n-oxide derivative and its use to stimulate keratinic fiberes growth and/or preventing their loss OREAL (FR) 2007-07-18 EP disclosed
US-6080750-A FOR PROPHYLAXIS AND TREATMENT OF DISEASES CAUSED BY INFECTION BY ROTAVIRUS NIPPON SHOJI KAISHA LTD. (JP) 2000-06-27 US disclosed
JP-H09301958-A NEW PYRIMIDINE COMPOUND AND ANTIROTAVIRUS AGENT NIPPON SHOJI KK 1997-11-25 JP disclosed
EP-0806418-A2 Novel pyrimidine compound and anti-rotavirus agent NIPPON SHOJI KAISHA, LIMITED (JP) 1997-11-12 EP disclosed
EP-0004173-B1 2,3-DIHYDROIMIDAZO (1,2-C) PYRIMIDINES, THEIR PREPARATION, FORMULATIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS ELI LILLY AND COMPANY (US) 1982-09-22 EP disclosed
EP-0004173-A1 2,3-Dihydroimidazo (1,2-c) pyrimidines, their preparation, formulations containing them and their use as pharmaceuticals ELI LILLY AND COMPANY (US) 1979-09-19 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-20150297591-A1 METHODS OF TREATING PULMONARY FIBROSIS GRPR, RXFP1, VIPR2 CYP2D6 4885/4885CYP2C19 4672/4885SMN1; SMN2 4862/4885
US-20130280270-A1 METHODS OF TREATING LUNG DISEASE AND OTHER INFLAMMATORY DISEASES GRPR, MRGPRX2, GIPR CYP2D6 3193/4885CYP2C19 1060/4885SMN1; SMN2 3920/4885
US-20120045441-A1 METHODS OF TREATING LUNG DISEASE AND OTHER INFLAMMATORY DISEASES GRPR, MRGPRX2, GIPR CYP2D6 3032/4885CYP2C19 996/4885SMN1; SMN2 3950/4885

“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.