SCHEMBL20061392

SCHEMBL20061392

Cc1nc(Cl)c2c(=O)cc[nH]c2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GLA P06280 1/20 0.51
ADORA2A P29274 2/20 0.49
ADORA1 P30542 1/20 0.49
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
PDK2 Q15119 3/20 0.41
PDK4 Q16654 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCR8 P51685 1/20 0.34
AXL P30530 1/20 0.34
PRKCI P41743 1/20 0.34

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
SCHEMBL20067823 0.79 KDM4E (0.46) KDM4EKMT2AALDH1A1POLBRAB9A
SCHEMBL3124523 0.74 PRKCI (0.46) ADORA2AADORA1PDK2PDK4AXL
SCHEMBL20061560 0.72 PDK2 (0.41) KDM4EKMT2AALDH1A1SMN1; SMN2GLA
SCHEMBL6833739 0.71 CHEK1 (0.49) KDM4EKMT2AALDH1A1POLBRAB9A
SCHEMBL20182173 0.71 PDK2 (0.45) KMT2AALDH1A1SMN1; SMN2PDK2PDK4
SCHEMBL9695659 0.70 ADORA2A (0.54) KDM4EKMT2AALDH1A1POLBRAB9A
SCHEMBL31555854 0.70 KDM4E (0.46) KDM4EKMT2AALDH1A1POLBRAB9A
SCHEMBL19153433 0.70 ADORA2A (0.59) KDM4EKMT2AALDH1A1POLBRAB9A
SCHEMBL19667434 0.69 PDK2 (0.44) PDK2PDK4
SCHEMBL15401745 0.68 CHEK1 (0.53) PDK2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT WEE2, WEE1, ITK KDM4E 3174/4885KMT2A 1827/4885ALDH1A1 3247/4885

“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.