SCHEMBL2157288

SCHEMBL2157288

NC(=O)c1cc(-c2cccnc2)n2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 13/20 0.46
MKNK2 Q9HBH9 12/20 0.46
CYP11B2 P19099 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40

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
SCHEMBL7953665 0.96 MKNK1 (0.47) MKNK1MKNK2CYP11B2
SCHEMBL7953705 0.89 CYP2C9 (0.43) MKNK1MKNK2CYP11B2HDAC3HDAC1
SCHEMBL7946664 0.88 CYP11B2 (0.43) CYP11B2HDAC3HDAC1HDAC2CYP2C9
Hydrochloric Acid SCHEMBL10742608 0.87 CYP2C9 (0.39) CYP11B2HDAC3HDAC1HDAC2GAA
SCHEMBL7946521 0.85 KMO (0.46) MKNK1MKNK2CYP11B2GAACYP2C9
SCHEMBL7954905 0.85 NR4A2 (0.46) CYP11B2
SCHEMBL10742663 0.85 MKNK1 (0.45) MKNK1MKNK2CYP11B2HDAC3HDAC1
SCHEMBL7946362 0.85 CDC7 (0.50) CYP11B2GAACYP2C9
Hydrochloric Acid SCHEMBL10737389 0.83 CYP11B2 (0.41) MKNK1MKNK2CYP11B2CYP2C9
SCHEMBL10858691 0.81 MKNK1 (0.45) MKNK1MKNK2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 WO disclosed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025612-A1 NOVEL THERAPEUTIC APPLICATION OF PYRROLE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed
US-4584297-A Pyrrolo[1,2-c]-1,3-thiazines RHONE-POULENC SANTE (FR) 1986-04-22 US disclosed
US-4546100-A Pyrrolo[1,2-c]thiazoles useful as antithrombotic agents RHONE-POULENC SANTE (FR) 1985-10-08 US disclosed
US-4539400-A Pyridin-3-yl substituted ortho-fused pyrrole derivatives RHONE-POULENC SANTE (FR) 1985-09-03 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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 MKNK1 3856/4885MKNK2 3481/4885CYP11B2 164/4885

“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.