SCHEMBL2522103

SCHEMBL2522103

O=C(O)[C@@H]1CC=C(c2cc(F)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 20/20 0.49
CCNT1 O60563 14/20 0.49

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
SCHEMBL2522101 1.00 CDK9 (0.49) CDK9CCNT1
SCHEMBL2524291 0.85 CDK9 (0.43) CDK9CCNT1
SCHEMBL2524288 0.85 CDK9 (0.43) CDK9CCNT1
SCHEMBL12282853 0.84 CDK9 (0.44) CDK9CCNT1
SCHEMBL2520219 0.82 CDK9 (0.58) CDK9CCNT1
SCHEMBL2520216 0.82 CDK9 (0.58) CDK9CCNT1
SCHEMBL2522507 0.75 NOTUM (0.43) CDK9CCNT1
SCHEMBL2522506 0.75 NOTUM (0.43) CDK9CCNT1
SCHEMBL25130645 0.74 CDK9 (0.45) CDK9CCNT1
SCHEMBL5544947 0.72 CDK9 (0.41) CDK9CCNT1

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
EP-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
EP-2558467-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
WO-2011128265-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 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-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES OXTR, AVPR1B, AVPR1A CDK9 3334/4885CCNT1 1550/4885

“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.