SCHEMBL9944699

SCHEMBL9944699

CN1CCn2cncc2C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.35
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
IDO1 P14902 2/20 0.32
CDK1 P06493 1/20 0.32
MYT1 Q01538 1/20 0.32
SPR P35270 1/20 0.32
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL16373641 0.88 CHRM2 (0.31) NAMPTCHRM2CHRM3IDO1CDK1
SCHEMBL19045076 0.82 HRH3 (0.35) NAMPTIDO1
SCHEMBL18629994 0.75 NAMPT (0.35) NAMPTIDO1CDK1MYT1
SCHEMBL15241310 0.75 NAMPT (0.37) NAMPTIDO1
SCHEMBL10361609 0.75 NAMPT (0.33) NAMPTCDK1MYT1SPR
SCHEMBL2736032 0.75 NAMPT (0.33) NAMPTCDK1MYT1SPR
SCHEMBL18947683 0.71 IDO1 (0.32) IDO1GABRG2GABRB3GABRA5
SCHEMBL25125516 0.69 JAK2 (0.31) NAMPT
SCHEMBL15998850 0.69 NAMPT (0.44) NAMPTCDK1MYT1SPR
SCHEMBL18702115 0.69 NAMPT (0.44) NAMPTCDK1MYT1SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 US disclosed
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 US disclosed
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 US disclosed
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20230159531-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. 2023-05-25 US disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
US-20080153778-A1 N-aryl pyrazole compounds, compositions, and methods for their use AMGEN INC. 2008-06-26 US disclosed
WO-2008045484-A1 N-ARYL PYRAZOLE COMPOUNDS FOR USE AGAINST DIABETES AMGEN INC. (US) 2008-04-17 WO disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
US-20070142392-A1 Uses of rifamycins ACTIVBIOTICS, INC. (US) 2007-06-21 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 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 (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-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 NAMPT 1597/4885CHRM2 4879/4885CHRM3 4863/4885
US-20070142392-A1 Uses of rifamycins TNF, TLR6, IL6 NAMPT 1017/4885CHRM2 4783/4885CHRM3 4734/4885
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 NAMPT 3841/4885CHRM2 1094/4885CHRM3 1806/4885
US-20230159531-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 NAMPT 1345/4885CHRM2 4325/4885CHRM3 4300/4885
US-20080153778-A1 N-aryl pyrazole compounds, compositions, and methods for their use GLP1R, GPR119, NAT1 NAMPT 345/4885CHRM2 251/4885CHRM3 777/4885
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression UTRN, ZFX, CBX6 NAMPT 1903/4885CHRM2 3695/4885CHRM3 3785/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 NAMPT 1532/4885CHRM2 362/4885CHRM3 641/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 NAMPT 2672/4885CHRM2 2597/4885CHRM3 3360/4885
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF PDXK, CMPK1, GCK NAMPT 2324/4885CHRM2 2459/4885CHRM3 1550/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 NAMPT 3942/4885CHRM2 565/4885CHRM3 703/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 NAMPT 1597/4885CHRM2 4879/4885CHRM3 4863/4885

“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.