SCHEMBL4813675

SCHEMBL4813675

O=C1CCc2ccc(CCn3cncn3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.39
▸ S1PR1 P21453 1/20 0.37
▸ CYP19A1 P11511 3/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ IL4I1 Q96RQ9 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ EGLN3 Q9H6Z9 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4811817 0.86 CYP19A1 (0.50) PBRM1CYP19A1HDAC1HDAC6
SCHEMBL4823867 0.76 TBXAS1 (0.48) TSHRCYP19A1
SCHEMBL4815195 0.76 CYP19A1 (0.50) CYP19A1HDAC1HDAC6
SCHEMBL6753943 0.71 HMOX1 (0.53) CYP19A1
SCHEMBL8688671 0.70 PBRM1 (0.50) PBRM1HRH3IL4I1HDAC1HDAC6
SCHEMBL4812956 0.70 PBRM1 (0.55) ALDH1A1PBRM1HRH3IL4I1
SCHEMBL4817612 0.69 PBRM1 (0.45) ALDH1A1HPGDPBRM1CYP19A1HRH3
SCHEMBL3839761 0.68 PBRM1 (0.47) ALDH1A1HPGDPBRM1HRH3IL4I1
SCHEMBL4811626 0.68 HTT (0.47) TSHRALDH1A1ALOX15HPGDPBRM1
SCHEMBL4819893 0.68 CYP17A1 (0.56) CYP19A1

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 — — EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 — — US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 — — 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 TSHR 3172/4885ALDH1A1 3901/4885ALOX15 4532/4885

“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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