SCHEMBL2829448

SCHEMBL2829448

CCCCCNC(=N)Nc1nc(C)cc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ DNM2 P50570 7/20 0.41
▸ EPHX2 P34913 1/20 0.38
▸ EPHX1 P07099 3/20 0.36
▸ MAPT P10636 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
SCHEMBL13330001 0.78 DNM2 (0.64) KMT2ADNM2
SCHEMBL9376298 0.74 DNM2 (0.55) KMT2ADNM2MAPT
SCHEMBL9741185 0.71 KMT2A (0.47) KMT2ACYP1A2CASP1MAPT
SCHEMBL6183354 0.71 MAPT (0.41) KMT2ACYP1A2CASP1MAPT
SCHEMBL12963418 0.71 KMT2A (0.50) KMT2ACYP1A2CASP1DNM2MAPT
SCHEMBL5923073 0.70 RAB9A (0.48) KMT2AMAPT
SCHEMBL17985492 0.69 KMT2A (0.49) KMT2ACYP1A2CASP1EPHX2EPHX1
SCHEMBL6925014 0.69 TAAR1 (0.44) KMT2AMAPT
SCHEMBL2574542 0.69 KMT2A (0.56) KMT2ADNM2MAPT
SCHEMBL2801059 0.68 ALDH1A1 (0.48) KMT2A

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
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 — — US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 — — US disclosed
EP-1917244-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 — — EP disclosed
WO-2007022964-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 — — WO 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E KMT2A 4384/4885CYP1A2 364/4885CASP1 2436/4885

“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.

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