SCHEMBL17824313

SCHEMBL17824313

O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 4/20 0.51
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KDR P35968 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NOTUM Q6P988 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL19714594 0.89 KMT2A (0.53) ALDH1A1MAPTMEN1PKMRAB9A
SCHEMBL19714641 0.88 ALDH1A1 (0.63) ALDH1A1MAPTMEN1PKMRAB9A
SCHEMBL17824278 0.87 RAB9A (0.52) ALDH1A1MAPTMEN1PKMRAB9A
SCHEMBL19714476 0.84 ALDH1A1 (0.53) ALDH1A1MAPTMEN1PKMRAB9A
SCHEMBL19714466 0.83 KMT2A (0.65) MMP2MAPTMEN1PKMRAB9A
SCHEMBL19714580 0.82 MAPT (0.64) ALDH1A1MAPTMEN1PKMRAB9A
SCHEMBL17824273 0.82 RAB9A (0.51) ALDH1A1MAPTMEN1PKMRAB9A
SCHEMBL19714456 0.81 MEN1 (0.54) ALDH1A1MAPTMEN1PKMRAB9A
SCHEMBL17824291 0.81 LMNA (0.50) ALDH1A1MAPTMEN1PKMRAB9A
SCHEMBL17824319 0.81 LMNA (0.53) MMP2ALDH1A1MEN1KMT2ALMNA

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-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
EP-3230275-A1 PRO-SURVIVAL COMPOUNDS University Court of The University of Glasgow (GB) 2017-10-18 — — EP disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 — — 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 MMP2 1711/4885ALDH1A1 95/4885MAPT 4635/4885

“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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