SCHEMBL13662016

SCHEMBL13662016

CCc1csc(N(CC)CC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DNM1L O00429 1/20 0.38
LMNA P02545 1/20 0.36
CFTR P13569 2/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TERT O14746 1/20 0.31
SREBF1 P36956 1/20 0.30
SREBF2 Q12772 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
SCHEMBL18674624 0.86 KMT2A (0.40) MEN1KMT2ADNM1LLMNACFTR
SCHEMBL7186601 0.84 MEN1 (0.44) MEN1KMT2ADNM1LLMNACFTR
SCHEMBL21929657 0.84 LMNA (0.47) MEN1KMT2ADNM1LLMNACFTR
SCHEMBL13946771 0.84 MEN1 (0.41) MEN1KMT2ADNM1LLMNACFTR
SCHEMBL18674634 0.83 CRHR1 (0.40) MEN1KMT2ADNM1LLMNACFTR
SCHEMBL18674675 0.82 MEN1 (0.40) MEN1KMT2ADNM1LLMNACFTR
SCHEMBL12800176 0.81 ADRB2 (0.39) MEN1KMT2ADNM1LLMNACFTR
SCHEMBL18674632 0.81 MEN1 (0.42) MEN1KMT2ALMNACFTRALDH1A1
SCHEMBL13045054 0.81 MEN1 (0.39) MEN1KMT2ADNM1LLMNACFTR
SCHEMBL13662109 0.81 MEN1 (0.56) MEN1KMT2ALMNACFTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
EP-2240451-B1 Isoquinolinone derivatives substituted with a purine useful as PI3K inhibitors INTELLIKINE LLC (US) 2017-08-09 EP disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
WO-2014151147-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2014-09-25 WO disclosed
WO-2013078441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-30 WO disclosed
WO-2013071264-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-16 WO disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO 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-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MEN1 1386/4885KMT2A 3819/4885DNM1L 1404/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MEN1 2578/4885KMT2A 673/4885DNM1L 3681/4885

“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.