SCHEMBL3779757

SCHEMBL3779757

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)nc(N)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MAP4K4 O95819 1/20 0.52
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
SUV39H2 Q9H5I1 2/20 0.46
GPR119 Q8TDV5 2/20 0.45
POLB P06746 1/20 0.44
ADK P55263 1/20 0.43
MEN1 O00255 1/20 0.43
DDB1 Q16531 1/20 0.43

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
SCHEMBL7774440 0.87 HRH4 (0.55) LMNAMAP4K4MAPTCKS1BSKP1
SCHEMBL3991539 0.87 CKS1B (0.50) LMNAMAP4K4KMT2AMAPTCKS1B
SCHEMBL24851452 0.86 CKS1B (0.49) LMNAMAP4K4KMT2AMAPTCKS1B
SCHEMBL30162245 0.86 CKS1B (0.49) LMNAMAP4K4KMT2AMAPTCKS1B
SCHEMBL1280129 0.86 GPR119 (0.56) LMNAMAP4K4KMT2AMAPTCKS1B
SCHEMBL21796892 0.84 SUV39H2 (0.49) LMNAMAP4K4KMT2AMAPTCKS1B
SCHEMBL21744944 0.84 CKS1B (0.49) LMNAMAP4K4KMT2AMAPTCKS1B
SCHEMBL3874309 0.83 KMT2A (0.54) LMNAMAP4K4KMT2AMAPTCKS1B
SCHEMBL24851168 0.83 CKS1B (0.53) LMNAMAP4K4KMT2AMAPTCKS1B
SCHEMBL24851765 0.83 GBA1 (0.51) MAP4K4KMT2ACKS1BSKP1SKP2

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
WO-2015069752-A9 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-09 WO disclosed
WO-2015069752-A1 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-14 WO disclosed
CN-103181926-B Broad-spectrum antitumor drug and application thereof UNIV EAST CHINA SCIENCE & TECH 2014-11-12 CN disclosed
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
CN-103181926-A Broad-spectrum antitumor drug and application thereof UNIV EAST CHINA SCIENCE & TECH 2013-07-03 CN disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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 (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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 LMNA 3883/4885MAP4K4 1955/4885KMT2A 1818/4885

“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.