SCHEMBL7144536

SCHEMBL7144536

C=CCc1n[nH]c2c(CC=C)ncnc12

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7144530 0.74 — —
SCHEMBL7194482 0.70 HIF1A (0.30) —
SCHEMBL546434 0.70 HTT (0.32) HTT
SCHEMBL532653 0.68 HIF1A (0.49) ALDH1A1LMNAMAPK1HTTHSD17B10
SCHEMBL532652 0.64 HIF1A (0.33) —
SCHEMBL3433360 0.63 RET (0.31) —
SCHEMBL21539447 0.62 MTAP (0.39) LMNA
SCHEMBL10405310 0.60 L3MBTL1 (0.31) —
SCHEMBL1465555 0.60 CCNB2 (0.30) ALDH1A1
SCHEMBL15202449 0.59 NPSR1 (0.30) —

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
EP-1147108-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2001-10-24 — — EP claimed
WO-2000043394-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) 2000-07-27 — — WO claimed
US-20030191086-A1 Substituted nitrogen heterocyclic derivatives and pharmaceutical use thereof USTAV EXPERIMENTALNI BOTANIKY AV CR 2003-10-09 — — US disclosed
US-6552192-B1 Inhibiting cyclin dependent kinase proteins, viruses, and immunostimulation; antimitotic, antiviral, anticancinogenic, antidegenerative, immunosuppressive USTAU EXPERIMENTALNI BOTANIKY AV-CR (CZ) 2003-04-22 — — US disclosed
EP-1147108-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2001-10-24 — — EP disclosed
WO-2000043394-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) 2000-07-27 — — 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-20030191086-A1 Substituted nitrogen heterocyclic derivatives and pharmaceutical use thereof CDK4, CDK5, CCNI KDM4E 750/4885ALDH1A1 4084/4885LMNA 2884/4885

“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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