SCHEMBL161716

SCHEMBL161716

C1=NCNc2cccnc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.33
AXL P30530 1/20 0.32
NUDT1 P36639 1/20 0.32
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7873570 0.80 NISCH (0.34) AXLNUDT1
SCHEMBL1938638 0.71 CYP1A2 (0.31) CYP1A2SMN1; SMN2
SCHEMBL29967313 0.71 CYP1A2 (0.31) CYP1A2SMN1; SMN2
SCHEMBL30051018 0.70 NOS2 (0.39) NOS2
SCHEMBL7835774 0.70
SCHEMBL3541131 0.68 NOS2 (0.38) NOS2
Bromide SCHEMBL7993026 0.68 NOS2 (0.38) NOS2
SCHEMBL388290 0.67
SCHEMBL14989970 0.67 AXL (0.32) AXLNUDT1CYP1A2SMN1; SMN2
SCHEMBL870400 0.67 CYP1A2 (0.31) CYP1A2SMN1; 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 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 US claimed
EP-3740480-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-03-06 EP claimed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US claimed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US claimed
EP-3740480-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP claimed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US claimed
CN-111757876-A DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-10-09 CN claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US claimed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
JP-4230684-A None JP disclosed
US-20250360134-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INST NAT SANTE RECH MED (FR) 2025-11-27 US disclosed
WO-2002000593-A2 COMPOUNDS USEFUL FOR THE PREPARATION OF MEDICAMENTS WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-01-03 WO disclosed
JP-H04230684-A 4-SUBSTITUTED DIHYDROPYRIDO(4,3-D)PYRIMIDINE AS ANALGESIC AND LOCAL ANTI-INFLAMMATORY DRUG FOR TREATING SKIN DISEASE HOECHST ROUSSEL PHARMACEUT INC 1992-08-19 JP 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 (11 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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NOS2 1676/4885AXL 3616/4885NUDT1 15/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NOS2 1676/4885AXL 3616/4885NUDT1 15/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NOS2 1345/4885AXL 2930/4885NUDT1 9/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NOS2 1676/4885AXL 3616/4885NUDT1 15/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NOS2 1345/4885AXL 2930/4885NUDT1 9/4885
US-20250360134-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES SARS1, CCR5, INTS6 NOS2 3868/4885AXL 1473/4885NUDT1 1242/4885
US-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK NOS2 3699/4885AXL 3972/4885NUDT1 539/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NOS2 1345/4885AXL 2930/4885NUDT1 9/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK NOS2 3699/4885AXL 3972/4885NUDT1 539/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NOS2 1345/4885AXL 2930/4885NUDT1 9/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NOS2 1676/4885AXL 3616/4885NUDT1 15/4885

“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.