SCHEMBL19714641

SCHEMBL19714641

O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ LMNA P02545 5/20 0.54
▸ KDR P35968 1/20 0.53
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NOD2 Q9HC29 1/20 0.49
▸ NOD1 Q9Y239 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL17824313 0.88 MMP2 (0.54) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL17824278 0.88 RAB9A (0.52) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL19714466 0.88 KMT2A (0.65) MAPTKMT2AMEN1PKMRAB9A
SCHEMBL19714594 0.88 KMT2A (0.53) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL19714625 0.85 TP53 (0.62) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL19714456 0.84 MEN1 (0.54) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL19714100 0.83 LMNA (0.73) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL17824273 0.83 RAB9A (0.51) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL19714476 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL19714580 0.83 MAPT (0.64) ALDH1A1MAPTKMT2AMEN1PKM

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-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 ALDH1A1 95/4885MAPT 4635/4885KMT2A 3767/4885

“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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