SCHEMBL4510545

SCHEMBL4510545

NCCNc1ccnc(-c2cc(F)ccc2O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ FERMT2 Q96AC1 1/20 0.44
▸ PRKD3 O94806 2/20 0.41
▸ PRKD1 Q15139 2/20 0.41
▸ PRKD2 Q9BZL6 2/20 0.41
▸ HSD17B10 Q99714 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CYP1A2 P05177 6/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 4/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ PIM1 P11309 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
SCHEMBL4512800 0.91 FERMT2 (0.45) FERMT2HSD17B10ALDH1A1MEN1HPGD
SCHEMBL4513805 0.85 STK17A (0.46) NPC1FERMT2PRKD3PRKD1PRKD2
SCHEMBL3906922 0.81 ALDH1A1 (0.55) HSD17B10ALDH1A1MEN1HPGDKMT2A
SCHEMBL4505555 0.80 PRKD3 (0.64) NPC1PRKD3PRKD1PRKD2HSD17B10
SCHEMBL4505545 0.80 PRKD3 (0.64) NPC1PRKD3PRKD1PRKD2HSD17B10
SCHEMBL4505550 0.80 PRKD3 (0.64) NPC1PRKD3PRKD1PRKD2HSD17B10
SCHEMBL3986227 0.72 PRKD3 (0.71) NPC1PRKD3PRKD1PRKD2HSD17B10
SCHEMBL4520964 0.72 PRKD3 (0.71) NPC1PRKD3PRKD1PRKD2HSD17B10
SCHEMBL3986232 0.72 PRKD3 (0.71) NPC1PRKD3PRKD1PRKD2HSD17B10
SCHEMBL4514136 0.71 CHEK2 (0.56) HSD17B10ALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT NPC1 2868/4885FERMT2 2269/4885PRKD3 9/4885

“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.

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