SCHEMBL104952

SCHEMBL104952

CC(C)NCc1cncn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.36
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CYP2C9 P11712 2/20 0.35
CHRM3 P20309 2/20 0.35
LMNA P02545 2/20 0.35
CHRM2 P08172 1/20 0.35
CYP2A6 P11509 1/20 0.35
CNR1 P21554 1/20 0.35
HTR2A P28223 1/20 0.35
CYP2A13 Q16696 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL24842571 0.82 KCNH2 (0.36) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL16812145 0.81 HRH4 (0.38) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL19091229 0.81 CHRM5 (0.36) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL46652 0.78
SCHEMBL104487 0.78 CHRM5 (0.39) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL701589 0.76
SCHEMBL13003201 0.76 CHRM5 (0.36) CHRM5CHRM4CHRM1CYP2C9CHRM3
Hydrochloric Acid SCHEMBL2159963 0.74 LMNA (0.38) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL12256549 0.74 CHRM5 (0.39) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL12259434 0.74 CHRM5 (0.37) CHRM5CHRM4CHRM1CYP2C9CHRM3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104209-A1 METTL3 INHIBITOR COMPOUND 上海昂阔医药有限公司 2023-06-15 WO disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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 (5 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CHRM5 527/4885CHRM4 265/4885CHRM1 530/4885
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 CHRM5 4117/4885CHRM4 4338/4885CHRM1 4766/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 CHRM5 4117/4885CHRM4 4338/4885CHRM1 4766/4885
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA CHRM5 4833/4885CHRM4 4813/4885CHRM1 4644/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN CHRM5 1710/4885CHRM4 1573/4885CHRM1 1284/4885

“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.