SCHEMBL14136014

SCHEMBL14136014

COC(=O)c1ccc(CNCC(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
HPGD P15428 1/20 0.67
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
PRMT3 O60678 7/20 0.54
IMPDH2 P12268 3/20 0.51
NOTUM Q6P988 5/20 0.50
NAMPT P43490 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ROCK2 O75116 1/20 0.46

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
SCHEMBL19860042 0.89 MEN1 (0.60) LMNAHPGDKDM4EALDH1A1PRMT3
SCHEMBL19860124 0.86 IMPDH2 (0.59) KDM4EALDH1A1PRMT3IMPDH2NOTUM
SCHEMBL14124377 0.85 PRMT3 (0.51) LMNAHPGDKDM4EALDH1A1PRMT3
SCHEMBL19860106 0.84 ROCK1 (0.57) PRMT3IMPDH2NOTUMMEN1KMT2A
SCHEMBL2162616 0.84 IMPDH2 (0.70) KDM4EALDH1A1PRMT3IMPDH2NOTUM
SCHEMBL2162395 0.82 ROCK2 (0.61) KDM4EPRMT3IMPDH2NOTUMNAMPT
SCHEMBL19860110 0.81 IMPDH2 (0.59) PRMT3IMPDH2NOTUMROCK2
SCHEMBL19860120 0.81 PRMT3 (0.53) HPGDKDM4EALDH1A1PRMT3IMPDH2
SCHEMBL19860105 0.79 PRMT3 (0.62) PRMT3IMPDH2NOTUM
SCHEMBL22751984 0.79 ROCK2 (0.53) ROCK2

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
US-8455513-B2 Kinase inhibitors; anticarcinogenic agents; obesity, glaucoma; N-(4-(3-(isoquinolin-6-ylamino)-3-oxopropyl)phenyl)-4-methoxybenzamide AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
WO-2008086269-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 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-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK LMNA 2665/4885HPGD 1195/4885KDM4E 1236/4885

“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.