SCHEMBL945157

SCHEMBL945157

C1C[N]CC2(C1)CCCNC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
CYP2D6 P10635 6/20 0.37
CYP3A4 P08684 5/20 0.37
CYP1A2 P05177 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 3/20 0.34
HPGD P15428 2/20 0.33
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 3/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
RPS6KA5 O75582 1/20 0.31
CHEK2 O96017 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
LYN P07948 1/20 0.31
SRC P12931 1/20 0.31
MAPK3 P27361 1/20 0.31

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
SCHEMBL8056850 0.94 ALDH1A1 (0.33) ALDH1A1CYP2D6CYP3A4CYP1A2HSD17B10
SCHEMBL8044726 0.92 ALDH1A1 (0.32) ALDH1A1CYP2D6CYP3A4CYP1A2HSD17B10
SCHEMBL3111009 0.91 TSHR (0.32) ALDH1A1CYP2D6CYP3A4CYP1A2HSD17B10
SCHEMBL477125 0.91 ALDH1A1 (0.37) ALDH1A1CYP2D6CYP3A4CYP1A2HSD17B10
SCHEMBL477124 0.91 ALDH1A1 (0.37) ALDH1A1CYP2D6CYP3A4CYP1A2HSD17B10
SCHEMBL477126 0.91 ALDH1A1 (0.37) ALDH1A1CYP2D6CYP3A4CYP1A2HSD17B10
SCHEMBL8062420 0.86 CXCR4 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL8060449 0.85 ALDH1A1 (0.33) ALDH1A1CYP2D6CYP3A4CYP1A2HSD17B10
SCHEMBL8057783 0.84
SCHEMBL769901 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-04-14 US claimed
EP-3849974-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP claimed
WO-2020052738-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO claimed
EP-2170889-B1 6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP claimed
US-8846676-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-09-30 US claimed
US-8354405-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-15 US claimed
US-20100179154-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-15 US claimed
WO-2024150146-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES NOVARTIS AG (CH) 2024-07-18 WO disclosed
WO-2023238078-A1 (S)-ENGINEERED OXYNITRILASE POLYPEPTIDES AND USES THEREOF NOVARTIS AG (CH) 2023-12-14 WO disclosed
US-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-04-14 US disclosed
EP-3849974-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP disclosed
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS VTVX HOLDINGS II LLC 2021-06-24 US disclosed
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2021-03-16 US disclosed
WO-2007107550-A1 ADAMANTANE DERIVATIVES FOR THE TREATMENT OF THE METABOLIC SYNDROME HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-27 WO disclosed
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 WO disclosed
WO-2007071766-A2 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS TRANSTECH PHARMA (US) 2007-06-28 WO disclosed
WO-2007003581-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-11 WO disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 WO disclosed
WO-2006087309-A1 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID 5-AMINOPYRIDIN-2-YL ESTERS NOVO NORDISK A/S (DK) 2006-08-24 WO disclosed
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 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 (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-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, KCNJ1, KCNJ11 ALDH1A1 1043/4885CYP2D6 1180/4885CYP3A4 1728/4885
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD ALDH1A1 487/4885CYP2D6 2274/4885CYP3A4 995/4885
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD ALDH1A1 487/4885CYP2D6 2274/4885CYP3A4 995/4885
US-20100179154-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, DHFR, IL4I1 ALDH1A1 586/4885CYP2D6 94/4885CYP3A4 236/4885

“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.