SCHEMBL17824278

SCHEMBL17824278

O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1ccnnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 5/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ KDR P35968 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ NOD2 Q9HC29 1/20 0.45

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
SCHEMBL19714641 0.88 ALDH1A1 (0.63) RAB9AMEN1PKMKMT2AALDH1A1
SCHEMBL17824313 0.87 MMP2 (0.54) RAB9AMEN1PKMKMT2AALDH1A1
SCHEMBL19714594 0.85 KMT2A (0.53) RAB9AMEN1PKMKMT2AALDH1A1
SCHEMBL19714466 0.83 KMT2A (0.65) RAB9AMEN1PKMKMT2AMAPT
SCHEMBL17824273 0.82 RAB9A (0.51) RAB9AMEN1PKMKMT2AALDH1A1
SCHEMBL19714456 0.81 MEN1 (0.54) RAB9AMEN1PKMKMT2AALDH1A1
SCHEMBL17824291 0.81 LMNA (0.50) RAB9AMEN1PKMKMT2AALDH1A1
SCHEMBL17824267 0.81 MEN1 (0.52) RAB9AMEN1PKMKMT2AALDH1A1
SCHEMBL19714100 0.81 LMNA (0.73) RAB9AMEN1PKMKMT2AALDH1A1
SCHEMBL19714580 0.80 MAPT (0.64) RAB9AMEN1PKMKMT2AALDH1A1

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 6 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
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
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
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 RAB9A 2097/4885MEN1 2331/4885PKM 3553/4885

“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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