SCHEMBL2199839

SCHEMBL2199839

Cc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(C)c1C(=O)N1CCCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 2/20 0.36
ALPL P05186 1/20 0.36
PYGL P06737 3/20 0.36
PARP1 P09874 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL2199832 1.00 KMT2A (0.44) KMT2AMAPTMEN1POLBTP53
SCHEMBL2202677 0.97 KMT2A (0.46) KMT2AMAPTMEN1POLBTP53
SCHEMBL2202671 0.97 KMT2A (0.46) KMT2AMAPTMEN1POLBTP53
SCHEMBL2200439 0.87 KMT2A (0.50) KMT2AMAPTMEN1POLBTP53
SCHEMBL2200442 0.87 KMT2A (0.50) KMT2AMAPTMEN1POLBTP53
SCHEMBL2203081 0.85 PARP1 (0.36) TP53ALPLPYGLPARP1SMN1; SMN2
SCHEMBL2203076 0.85 PARP1 (0.36) TP53ALPLPYGLPARP1SMN1; SMN2
SCHEMBL2199019 0.83 PARP1 (0.35) KMT2AMEN1POLBALPLPYGL
SCHEMBL2199024 0.83 PARP1 (0.35) KMT2AMEN1POLBALPLPYGL
SCHEMBL2199807 0.83 KMT2A (0.48) KMT2AMAPTMEN1POLBSMN1; SMN2

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 2 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-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 4057/4885MAPT 4214/4885MEN1 4450/4885

“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.