SCHEMBL23075992

SCHEMBL23075992

O=c1nc(-c2ccccc2)nc2ccc(-c3ccccc3)cn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ ALK Q9UM73 1/20 0.46
▸ ALDH1A3 P47895 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ ALDH1A2 O94788 1/20 0.44
▸ SLC2A1 P11166 7/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ EPHB3 P54753 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ AKT2 P31751 1/20 0.38

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
SCHEMBL23075955 0.95 RET (0.43) RETPIM1FGFR1FLT1KDR
SCHEMBL23076424 0.85 PRMT5 (0.35) RETPIM1FGFR1FLT1KDR
SCHEMBL23076388 0.84 RET (0.35) RETPIM1FGFR1FLT1KDR
SCHEMBL23076037 0.84 PARP1 (0.45) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL23076324 0.81 KDM4E (0.35) RETPIM1FGFR1FLT1KDR
SCHEMBL24663212 0.79 HSD17B10 (0.54) ALDH1A1NPC1RAB9A
SCHEMBL23075947 0.79 ALDH1A3 (0.34) RETPIM1FGFR1FLT1KDR
SCHEMBL24662971 0.76 TET2 (0.36) ALDH1A1
SCHEMBL23076406 0.75 L3MBTL1 (0.34) ALDH1A1MAP2K1NPC1RAB9A
SCHEMBL22941360 0.71 RET (0.41) RETPIM1FGFR1FLT1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-09-29 — — US disclosed
WO-2021043703-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-11 — — 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-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM RET 2833/4885PIM1 1164/4885FGFR1 4763/4885

“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.

Send feedback