SCHEMBL3190367

SCHEMBL3190367

Cc1cnc(N)c(N)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 8/20 0.46
NOS2 P35228 8/20 0.46
NOS1 P29475 5/20 0.46
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
UHRF1 Q96T88 1/20 0.36
MAP4K4 O95819 1/20 0.34
POLB P06746 1/20 0.33
USP7 Q93009 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL30684515 1.00 NOS3 (0.46) NOS3NOS2NOS1CCR1CCR5
SCHEMBL2482691 0.81 NOS3 (0.48) NOS3NOS2NOS1CCR1CCR5
SCHEMBL5809638 0.79 NOS3 (0.46) NOS3NOS2NOS1CCR1CCR5
SCHEMBL13485983 0.79 NOS3 (0.41) NOS3NOS2NOS1UHRF1MAP4K4
SCHEMBL3840770 0.79 NOS3 (0.42) NOS3NOS2NOS1CCR1CCR5
SCHEMBL29756246 0.79 NOS3 (0.41) NOS3NOS2NOS1UHRF1MAP4K4
Ammonia Solution, Strong SCHEMBL29016866 0.77 NOS3 (0.44) NOS3NOS2NOS1CCR1CCR5
SCHEMBL24753651 0.75 NOS3 (0.39) NOS3NOS2NOS1CCR1CCR5
SCHEMBL31568933 0.75 NOS3 (0.38) NOS3NOS2NOS1USP7
SCHEMBL21206805 0.75 LMNA (0.44) NOS3NOS2NOS1CCR1CCR5

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
CN-117957219-A Pyridine derivative and application thereof 四川汇宇制药股份有限公司 2024-04-30 CN disclosed
CN-117279908-A Heteroaryl compounds for the treatment of cognitive disorders 加的夫大学学院咨询有限公司 2023-12-22 CN disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-20230146944-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES SIGNAL PHARMACEUTICALS, LLC 2023-05-11 US disclosed
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-12-20 US disclosed
EP-3994132-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF Sumitomo Dainippon Pharma Oncology, Inc. (US) 2022-05-11 EP disclosed
EP-3959207-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2022-03-02 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
WO-2021003417-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-01-07 WO disclosed
US-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 US disclosed
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
CN-103800313-A Novel derivatives of cyclic compound and the use thereof WONKISOPHARM CO LTD 2014-05-21 CN disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
CN-101547886-B pharmaceutical composition and cosmetic composition WONKISOPHARM CO LTD 2013-08-21 CN disclosed
US-7655366-B2 methoxy substitued dithienylethene as photochromic dyes; dispersed in solvent or polymer; reversible transition between colorless and colored state in response to light; erasable by heat or light, stability; ink jet printers; toner-free; cost efficiency; disposable paper reused; environmentally friendly XEROX CORPORATION (US) 2010-02-02 US disclosed
CN-101547886-A Novel derivative of cyclic compound and use thereof WONKISOPHARM CO LTD (KR) 2009-09-30 CN disclosed
US-20080311489-A1 INKLESS REIMAGEABLE PRINTING PAPER AND METHOD XEROX CORPORATION (US) 2008-12-18 US disclosed
WO-1997000256-A1 POLYMORPHIC FORMS OF AN ANGIOTENSIN II ANTAGONIST MERCK & CO., INC. (US) 1997-01-03 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 (7 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 NOS3 834/4885NOS2 1234/4885NOS1 859/4885
US-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof TNK1, TNNI3K, TYK2 NOS3 813/4885NOS2 1014/4885NOS1 590/4885
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof TNK1, TNNI3K, TYK2 NOS3 813/4885NOS2 1014/4885NOS1 590/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 NOS3 755/4885NOS2 1161/4885NOS1 800/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH NOS3 1614/4885NOS2 1129/4885NOS1 2176/4885
US-20230146944-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, HAX1, HRH4 NOS3 1702/4885NOS2 1393/4885NOS1 1392/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH NOS3 1614/4885NOS2 1129/4885NOS1 2176/4885

“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.