SCHEMBL2200439

SCHEMBL2200439

Cc1nn(-c2cccc(/C=C/c3ccc(Cl)cc3)c2)c(C)c1C(=O)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ALOX12 P18054 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PTGS2 P35354 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38

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
SCHEMBL2200442 1.00 KMT2A (0.50) KMT2AGAAMAPTPOLBMEN1
SCHEMBL2202677 0.90 KMT2A (0.46) KMT2AMAPTPOLBMEN1LMNA
SCHEMBL2202671 0.90 KMT2A (0.46) KMT2AMAPTPOLBMEN1LMNA
SCHEMBL2199807 0.90 KMT2A (0.48) KMT2AMAPTPOLBMEN1LMNA
SCHEMBL2199814 0.90 KMT2A (0.48) KMT2AMAPTPOLBMEN1LMNA
SCHEMBL2200597 0.87 KMT2A (0.46) KMT2AMAPTPOLBMEN1LMNA
SCHEMBL2200600 0.87 KMT2A (0.46) KMT2AMAPTPOLBMEN1LMNA
SCHEMBL2199832 0.87 KMT2A (0.44) KMT2AMAPTPOLBMEN1LMNA
SCHEMBL2199839 0.87 KMT2A (0.44) KMT2AMAPTPOLBMEN1LMNA
SCHEMBL2198942 0.86 KMT2A (0.44) KMT2AMAPTPOLBMEN1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 KMT2A 4057/4885GAA 4632/4885MAPT 4214/4885

“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.