SCHEMBL4972056

SCHEMBL4972056

CN(C)c1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
GAA P10253 2/20 0.52
PDPK1 O15530 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP1A2 P05177 1/20 0.48
IDO1 P14902 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALPL P05186 1/20 0.48
HPGD P15428 1/20 0.48
TTK P33981 1/20 0.48
MAPK10 P53779 1/20 0.48
YTHDC1 Q96MU7 1/20 0.43
STAT3 P40763 1/20 0.43
HIF1A Q16665 1/20 0.43
LRRK2 Q5S007 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL27732388 0.80 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL27695633 0.79 LMNA (0.49) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL17889441 0.78 KDM4E (0.49) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL1851954 0.77 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL29096537 0.75 HTR6 (0.41) IDO1LRRK2MAP2K4MAPK1
SCHEMBL7371874 0.75 MAP2K4 (0.50) KDM4EALDH1A1HPGDITKFADS1
SCHEMBL4293891 0.73 PDPK1 (0.58) PDPK1HPGDLRRK2FGFR1FLT1
SCHEMBL11766927 0.73 MAT2A (0.46) GAACYP1A2HPGDADRA2AFADS1
SCHEMBL7371869 0.73 JAK2 (0.33) PDPK1FLT3MAP2K4MAPK1
SCHEMBL2563311 0.73 MAPK1 (0.31) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019735-A Arylsulfonyl compounds as CCR6 inhibitors 坎莫森特里克斯公司 2024-05-10 CN disclosed
US-10385019-B2 Inhibitors of EGFR and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-20 US disclosed
CN-101421265-A Thiazole compounds as protein kinase b (pkb) inhibitors AMGEN INC (US) 2009-04-29 CN disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 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 (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-10385019-B2 Inhibitors of EGFR and methods of use thereof EGFR, ERBB2, ERBB3 KDM4E 4495/4885GAA 830/4885PDPK1 352/4885
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R KDM4E 622/4885GAA 1060/4885PDPK1 2532/4885

“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.