SCHEMBL4043224

SCHEMBL4043224

NC(=O)c1c(I)cccc1CNC[C@H](O)[CH]Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FOLH1 Q04609 1/20 0.33
BACE1 P56817 1/20 0.33
MAPK8 P45983 1/20 0.33
ANPEP P15144 1/20 0.33
ADRB1 P08588 1/20 0.32

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
SCHEMBL4041089 0.87 MEN1 (0.35) BCHEMAPK8ANPEP
SCHEMBL4044405 0.86 KDM4E (0.37) FOLH1
SCHEMBL4038669 0.85 CD274 (0.38) CYP1A2CYP2D6FOLH1
SCHEMBL5720767 0.84 TXNRD1 (0.39) BCHEBACE1
SCHEMBL4041577 0.83 ALDH1A1 (0.38) BCHEBACE1MAPK8
SCHEMBL4047555 0.79 SIRT1 (0.38) CYP1A2CYP2D6CYP2C19ADRB1
SCHEMBL4040092 0.77 RPS6KB1 (0.37) BCHECYP1A2CYP2D6CYP2C9ANPEP
SCHEMBL4045031 0.76 KDM1A (0.46) BCHEFOLH1BACE1
SCHEMBL5219600 0.74 ANPEP (0.46) BCHECYP1A2CYP2D6ANPEP
SCHEMBL4043818 0.74 BCHE (0.41) BCHEBACE1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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 (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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 BCHE 4219/4885CYP1A2 1034/4885CYP2D6 585/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS BCHE 3977/4885CYP1A2 2117/4885CYP2D6 2292/4885

“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.