SCHEMBL18759889

SCHEMBL18759889

COc1cc2c(cc1N)C(C)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
KMT2A Q03164 6/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 4/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
CA7 P43166 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 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
SCHEMBL18759969 0.95 SMN1; SMN2 (0.57) SMN1; SMN2KMT2ANPC1POLBMEN1
SCHEMBL7619697 0.90 SMN1; SMN2 (0.70) SMN1; SMN2KMT2ANPC1POLBMEN1
SCHEMBL18759961 0.82 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL18759956 0.81 CYP3A4 (0.47) SMN1; SMN2KMT2AMEN1HTTGAA
SCHEMBL18759883 0.81 DPP4 (0.45) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6422682 0.80 MAOA (0.52) SMN1; SMN2KMT2ANPC1POLBMEN1
SCHEMBL6424005 0.80 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ANPC1POLBMEN1
SCHEMBL4183874 0.80 NR1H2 (0.60) SMN1; SMN2NPC1POLBRAB9A
SCHEMBL30471770 0.79 GHSR (0.54) SMN1; SMN2KMT2AKDM4EALDH1A1LMNA
SCHEMBL26877961 0.79 GHSR (0.54) SMN1; SMN2KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053458-B2 Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-08-21 US disclosed
US-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-25 US disclosed
EP-3159338-A2 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2017-04-26 EP 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-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT ALK, NPM1, ETV6 SMN1; SMN2 2442/4885KMT2A 536/4885NPC1 422/4885
US-10053458-B2 Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient ALK, NPM1, ETV6 SMN1; SMN2 2442/4885KMT2A 536/4885NPC1 422/4885

“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.