SCHEMBL21392667

SCHEMBL21392667

Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccn4)cc3)c3ccc(-c4ccc5c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccc6c(-c6ccc(-n7c(C)nc8ccccc87)cc6)c5c4)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
PDK2 Q15119 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
DHFR P00374 2/20 0.33
NPY5R Q15761 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPP1CA P62136 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL21392542 0.89 MAPK1 (0.47) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL21392664 0.85 ESR1 (0.38) PDK2DHFRMAPTKMT2ADHODH
SCHEMBL21392543 0.83 HTT (0.54) MAPK1HTTCYP1A2MAPTCYP2C9
SCHEMBL13488112 0.83 ESR1 (0.41) MAPK1HTTMAPTKMT2AALDH1A1
SCHEMBL13488182 0.82 RECQL (0.39) MAPK1HTTMAPTKMT2AALDH1A1
SCHEMBL26343707 0.82 MAPK1 (0.45) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL13487890 0.81 ESR1 (0.42) MAPK1HTTMAPTKMT2AALDH1A1
SCHEMBL13042774 0.81 ESR1 (0.46) MAPK1HTTMAPTKMT2ANPSR1
SCHEMBL18925699 0.81 ESR1 (0.41) MAPK1HTTMAPTKMT2AALDH1A1
SCHEMBL13042777 0.81 ESR1 (0.46) MAPK1HTTMAPTKMT2ANPSR1

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-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885PDK2 3759/4885

“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.