SCHEMBL1708189

SCHEMBL1708189

Cc1cc(C)nc(N2CCCC2)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
GBA1 P04062 5/20 0.56
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 1/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 3/20 0.53
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
NR4A1 P22736 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CASP1 P29466 1/20 0.48
CASP4 P49662 1/20 0.48

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
SCHEMBL13693076 0.98 KMT2A (0.55) KMT2AMEN1GBA1KDM4EHSD17B10
SCHEMBL13033934 0.95 KMT2A (0.56) KMT2AMEN1GBA1KDM4EHSD17B10
SCHEMBL6298712 0.87 GBA1 (0.71) KMT2AGBA1NPSR1CRHBPCRHR2
SCHEMBL3410110 0.86 HTT (0.51) KMT2AMEN1GBA1KDM4EHSD17B10
SCHEMBL30788620 0.86 HRH4 (0.58) KMT2AMEN1GBA1KDM4EHSD17B10
SCHEMBL22148449 0.86 HRH4 (0.58) KMT2AMEN1GBA1KDM4EHSD17B10
SCHEMBL29826722 0.86 HTT (0.51) KMT2AMEN1GBA1KDM4EHSD17B10
SCHEMBL15582005 0.86 GBA1 (0.69) KMT2AGBA1NPSR1CRHBPCRHR2
SCHEMBL3409761 0.84 HTT (0.50) KMT2AMEN1GBA1KDM4EHSD17B10
SCHEMBL29986200 0.83 KMT2A (0.71) KMT2AGBA1NPSR1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988169-B Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof 广东东阳光药业有限公司 2022-02-01 CN disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 939/4885MEN1 1312/4885GBA1 4419/4885
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R KMT2A 4170/4885MEN1 1867/4885GBA1 3279/4885

“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.