SCHEMBL4816440

SCHEMBL4816440

O=C1CCc2cc(CCn3ccnc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 4/20 0.48
▸ CYP19A1 P11511 3/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP17A1 P05093 1/20 0.45
▸ KCNJ1 P48048 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HMOX1 P09601 3/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL6751891 0.91 HMOX1 (0.53) TBXAS1CYP19A1HMOX1
SCHEMBL4823867 0.90 TBXAS1 (0.48) TBXAS1CYP19A1KMT2ACYP17A1HMOX1
SCHEMBL2347295 0.86 CYP17A1 (0.60) TBXAS1CYP19A1CYP17A1
SCHEMBL6752974 0.84 HMOX1 (0.51) TBXAS1CYP19A1HMOX1
SCHEMBL6753943 0.81 HMOX1 (0.53) TBXAS1CYP19A1HMOX1
SCHEMBL10463554 0.79 TBXAS1 (0.57) TBXAS1CYP19A1KMT2ACYP1A2CYP2C9
SCHEMBL6174346 0.79 HRH3 (0.60) TBXAS1CYP19A1
SCHEMBL8609686 0.76 CYP17A1 (0.76) TBXAS1CYP19A1KMT2ACYP17A1HMOX1
SCHEMBL4819893 0.76 CYP17A1 (0.56) TBXAS1CYP19A1CYP17A1
Hydrochloric Acid SCHEMBL8610701 0.75 CYP17A1 (0.74) TBXAS1CYP19A1KMT2ACYP17A1HMOX1

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 TBXAS1 702/4885CYP19A1 2367/4885KMT2A 1384/4885

“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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