SCHEMBL4512800

SCHEMBL4512800

NCCNc1ccnc(-c2ccc(F)cc2O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FERMT2 Q96AC1 1/20 0.45
▸ CASP6 P55212 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CYP1A2 P05177 10/20 0.39
▸ CYP3A4 P08684 8/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 8/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL4510545 0.91 NPC1 (0.47) FERMT2CASP6ALDH1A1HSD17B10MEN1
SCHEMBL3906922 0.82 ALDH1A1 (0.55) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL4513805 0.78 STK17A (0.46) FERMT2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4505555 0.71 PRKD3 (0.64) CASP6ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4505545 0.71 PRKD3 (0.64) CASP6ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4505550 0.71 PRKD3 (0.64) CASP6ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4518374 0.70 MEN1 (0.53) ALDH1A1HSD17B10MEN1KMT2ACYP1A2
SCHEMBL19033878 0.67 HRH4 (0.81) HRH3HRH4NUDT1
SCHEMBL14554992 0.66 CYP1A2 (0.49) CASP6ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3986232 0.66 PRKD3 (0.71) ALDH1A1HSD17B10MEN1KMT2AHRH3

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-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

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 FERMT2 2269/4885CASP6 2447/4885ALDH1A1 1832/4885

“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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