SCHEMBL654972

SCHEMBL654972

CC(C)CN1CC[N]CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.45
CYP2D6 P10635 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC2A1 P11166 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL3550224 0.91 PIK3CD (0.39) PIK3CDCYP2D6SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1394110 0.80 DRD2 (0.38) PIK3CD
SCHEMBL1394853 0.80 DRD2 (0.38) PIK3CD
SCHEMBL5949826 0.80
SCHEMBL1394111 0.80 DRD2 (0.38) PIK3CD
SCHEMBL24209746 0.80 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2SLC2A1HRH3
SCHEMBL2001262 0.80
SCHEMBL20438377 0.80 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2SLC2A1HRH3
SCHEMBL1621691 0.80 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2SLC2A1HRH3
SCHEMBL7721809 0.78 LMNA (0.37) PIK3CDALDH1A1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921319-B1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE LTD (KY) 2024-03-06 EP claimed
CN-116284001-A DCLK1 inhibitor, preparation method, pharmaceutical composition and application 中国药科大学 2023-06-23 CN claimed
US-20230167117-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEONE MEDICINES I GMBH (CH) 2023-06-01 US claimed
CN-114127065-A Compounds for the treatment of neurodegenerative diseases and cancer 鸿仪有限责任公司 2022-03-01 CN claimed
CN-113423708-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2021-09-21 CN claimed
CN-108864007-B 2-aminomethyl-6- (benzofuran-5-yl) phenol and preparation method and application thereof 湖南大学 2020-08-04 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
WO-2019063704-A1 SUBSTITUTED 3-PHENYLQUINAZOLIN-4(3H)-ONES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-04-04 WO claimed
WO-2019063708-A1 SUBSTITUTED 3-PHENYLQUINAZOLIN-4(3H)-ONES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-04-04 WO claimed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US claimed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 WO claimed
WO-2009078999-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO claimed
US-20090156599-A1 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US claimed
EP-0891976-B1 Novel cyclic ureas useful as antiarrhythmic and antifibrillatory agents PROCTER & GAMBLE PHARMA (US) 2002-10-16 EP claimed
US-6362169-B1 Antibacterial compositions with synergistic effect, drugs and remedies for digestive diseases containing the same, process for the production thereof and preparations associated therewith KANEKA CORPORATION (JP) 2002-03-26 US claimed
EP-1057487-A1 ANTIMICROBIAL COMPOSITIONS WITH SYNERGISTIC EFFECT, DRUGS AND REMEDIES FOR DIGESTIVE DISEASES CONTAINING THE SAME, PROCESS FOR THE PRODUCTION THEREOF AND PREPARATIONS ASSOCIATED THEREWITH KANEKA CORPORATION (JP) 2000-12-06 EP claimed
US-6083945-A USEFUL IN TREATING HUMANS OR OTHER MAMMALS WITH CARDIAC ARRHYTHMIA AND/OR CARDIAC FIBRILLATION THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US claimed
EP-0598046-B1 CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMA (US) 1999-03-24 EP claimed
US-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US claimed
US-4937240-A PLATELET ACTIVATING FACTOR ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-06-26 US claimed

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-20230167117-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST TLR7, TLR1, TLR9 PIK3CD 603/4885CYP2D6 2538/4885SMN1; SMN2 884/4885
US-20090156599-A1 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 TRPV1, TRPA1, TRPV4 PIK3CD 911/4885CYP2D6 2706/4885SMN1; SMN2 3303/4885

“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.