SCHEMBL6437482

SCHEMBL6437482

CCCOCCCC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
SIGMAR1 Q99720 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NAAA Q02083 3/20 0.37
FKBP1A P62942 4/20 0.37

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
SCHEMBL10648552 0.92 CYP1A2 (0.59) CYP1A2SIGMAR1EPHX1NAAA
SCHEMBL16387827 0.91 CYP1A2 (0.71) CYP1A2SIGMAR1SMN1; SMN2EPHX1HRH3
SCHEMBL23014720 0.89 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1NAAA
SCHEMBL6937266 0.89 CYP1A2 (0.54) CYP1A2SIGMAR1SMN1; SMN2EPHX1NAAA
SCHEMBL9267046 0.89 CYP1A2 (0.56) CYP1A2SIGMAR1SMN1; SMN2EPHX1HRH3
SCHEMBL29101110 0.89 CYP1A2 (0.56) CYP1A2SIGMAR1SMN1; SMN2EPHX1HRH3
SCHEMBL16404829 0.86 CYP1A2 (0.50) CYP1A2SIGMAR1SMN1; SMN2
SCHEMBL14739553 0.86 CYP1A2 (0.52) CYP1A2SIGMAR1SMN1; SMN2EPHX1HRH3
SCHEMBL22857774 0.85 CYP1A2 (0.61) CYP1A2SIGMAR1NAAA
SCHEMBL23014885 0.85 CYP1A2 (0.50) CYP1A2SIGMAR1EPHX1HRH3NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312605-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-10-05 US disclosed
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
EP-1827441-B1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION BOEHRINGER INGELHEIM INT (DE) 2011-06-15 EP disclosed
US-20050113536-A1 Epoxy polymer precursors and epoxy polymers resistant to damage by high-energy radiation ARMSTRONG SEAN E (US) 2005-05-26 US disclosed
US-20050107580-A1 Epoxy polymer precursors and epoxy polymers resistant to damage by high-energy radiation ARMSTRONG SEAN E (US) 2005-05-19 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-20230312605-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK2, DYRK1B CYP1A2 3647/4885SIGMAR1 2828/4885SMN1; SMN2 1333/4885

“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.