SCHEMBL2459893

SCHEMBL2459893

[CH2]c1ccccc1N1CC2CNCC2C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.56
▸ CHRNA7 P36544 7/20 0.43
▸ CHRNB2 P17787 5/20 0.42
▸ CHRNA4 P43681 5/20 0.42
▸ CHRNB4 P30926 3/20 0.41
▸ CHRNA3 P32297 3/20 0.41
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPB Q9Y5S2 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
SCHEMBL14704616 0.78 ADRB1 (0.56) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL14704620 0.78 BPTF (0.56) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL29732480 0.78 BPTF (0.56) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL30047188 0.78 BPTF (0.56) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL10111971 0.78 BPTF (0.56) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL22720929 0.78 BPTF (0.56) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL26607576 0.76 BPTF (0.55) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL22721104 0.75 HTR5A (0.57) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL22728529 0.75 BPTF (0.58) BPTFCHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL21667804 0.75 BPTF (0.53) BPTFCHRNA7CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 — — US claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 — — US claimed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 — — US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 — — US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 — — US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 — — EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 — — US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 — — 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 (2 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 BPTF 1081/4885CHRNA7 3897/4885CHRNB2 3946/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 BPTF 1081/4885CHRNA7 3897/4885CHRNB2 3946/4885

“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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