SCHEMBL19241708

SCHEMBL19241708

O=C(Nc1ccncc1)c1ccc2ccc3c(C(=O)Nc4ccncc4)ccc4ccc1c2c43

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ TYK2 P29597 6/20 0.53
▸ JAK2 O60674 6/20 0.53
▸ JAK1 P23458 2/20 0.53
▸ HTT P42858 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ PDE4A P27815 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PRKCI P41743 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MDM2 Q00987 1/20 0.48

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
SCHEMBL27195662 0.76 KDM4E (0.56) KDM4EL3MBTL1TYK2JAK2JAK1
SCHEMBL8556169 0.75 DEGS1 (0.69) KDM4ETYK2JAK2HTTNPC1
SCHEMBL23112987 0.75 DEGS1 (0.49) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL29837345 0.75 DEGS1 (0.49) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL27946675 0.74 JAK2 (0.77) KDM4EL3MBTL1TYK2JAK2HTT
SCHEMBL19774580 0.72 KDM4E (0.67) KDM4EL3MBTL1TYK2JAK2JAK1
SCHEMBL31171356 0.72 TYK2 (0.58) KDM4EL3MBTL1TYK2JAK2JAK1
SCHEMBL30828550 0.70 KDM4E (0.87) KDM4EL3MBTL1TYK2JAK2HTT
SCHEMBL1898755 0.70 GAA (0.91) KDM4EL3MBTL1TYK2JAK2HTT
SCHEMBL14716526 0.70 KDM4E (1.00) KDM4EL3MBTL1TYK2JAK2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411140-B1 METHOD FOR SEPARATING ACETYLENE FROM A GAS MIXTURE UNIV LIMERICK (IE) 2021-08-18 — — EP disclosed
EP-3500582-B1 POROUS CHIRAL MATERIALS AND USES THEREOF UNIV NANKAI (CN) 2021-08-11 — — EP disclosed
US-11058985-B2 Methods for gas separation UNIVERSITY OF LIMERICK (IE) 2021-07-13 — — US disclosed
EP-3791949-A1 IMPROVEMENTS RELATING TO GAS SEPARATION University of Limerick (IE) 2021-03-17 — — EP disclosed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 — — US disclosed
US-20190054413-A1 METHODS FOR GAS SEPARATION THE UNIVERSITY OF LIMERICK (IE) 2019-02-21 — — US disclosed
WO-2017132816-A1 METHODS FOR GAS SEPARATION UNIVERSITY OF LIMERICK (IE) 2017-08-10 — — 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-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 KDM4E 3822/4885L3MBTL1 555/4885TYK2 3732/4885

“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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