SCHEMBL4071077

SCHEMBL4071077

Clc1ncc(Br)c(NCC2CCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
PTGER4 P35408 1/20 0.39
APP P05067 1/20 0.38
TNK2 Q07912 3/20 0.38
GBA1 P04062 1/20 0.38
GRM4 Q14833 1/20 0.37
IGF1R P08069 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CHRM4 P08173 1/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
YTHDC1 Q96MU7 1/20 0.35
UTS2R Q9UKP6 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
SCHEMBL13649042 0.98 KMT2A (0.44) KMT2AMEN1PTGER4APPTNK2
SCHEMBL1937339 0.94 PTGER4 (0.44) KMT2AMEN1PTGER4TNK2IGF1R
SCHEMBL20866337 0.87 ADORA3 (0.41) KMT2AMEN1PTGER4TNK2IGF1R
SCHEMBL17764574 0.87 CCNK (0.41) KMT2AMEN1TNK2HIF1A
SCHEMBL19763693 0.87 ADORA3 (0.41) KMT2AMEN1PTGER4TNK2IGF1R
SCHEMBL14556275 0.84 KMT2A (0.44) KMT2AAPPTNK2GRM4JAK2
SCHEMBL5259187 0.84 KMT2A (0.43) KMT2AMEN1GBA1JAK2JAK1
SCHEMBL15057121 0.83 KMT2A (0.47) KMT2AAPPGBA1GRM4ADORA3
SCHEMBL14556265 0.81 KMT2A (0.41) KMT2AAPPTNK2GRM4ADORA3
SCHEMBL1411403 0.80 SYK (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO disclosed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US disclosed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 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 (1 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-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI KMT2A 669/4885MEN1 3353/4885PTGER4 864/4885

“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.