SCHEMBL4547144

SCHEMBL4547144

CNNC1CCN(CCOC)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
BRD4 O60885 2/20 0.38
ATAD2 Q6PL18 1/20 0.38
CARM1 Q86X55 5/20 0.37
PRMT6 Q96LA8 5/20 0.37
EHMT2 Q96KQ7 1/20 0.37
LTA4H P09960 1/20 0.36
HTR4 Q13639 1/20 0.36
PRMT1 Q99873 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
ACKR3 P25106 1/20 0.36
PABPC1 P11940 1/20 0.36
HSD11B1 P28845 1/20 0.36
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 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
SCHEMBL963156 0.85 KDM1A (0.49) KDM1ABRD4ATAD2CARM1PRMT6
SCHEMBL4547142 0.79 KDM1A (0.48) KDM1ABRD4ATAD2EHMT2HTR4
SCHEMBL18551063 0.79 KDM1A (0.48) KDM1ABRD4ATAD2CARM1PRMT6
SCHEMBL18551217 0.78 HRH2 (0.46) KDM1ABRD4ATAD2EHMT2LTA4H
SCHEMBL18873644 0.78 KDM1A (0.47) KDM1ABRD4ATAD2CARM1PRMT6
SCHEMBL5949639 0.78 HRH2 (0.46) KDM1ABRD4ATAD2EHMT2LTA4H
SCHEMBL25389091 0.77 KDM1A (0.47) KDM1ACARM1PRMT6LTA4HHTR4
Hydrochloric Acid SCHEMBL6496133 0.76 HRH2 (0.45) KDM1ABRD4ATAD2EHMT2LTA4H
SCHEMBL2621574 0.76 KDM1A (0.46) KDM1ABRD4ATAD2EHMT2HTR4
SCHEMBL12395763 0.76 KDM1A (0.46) KDM1ABRD4ATAD2EHMT2HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KDM1A 1757/4885BRD4 645/4885ATAD2 4054/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KDM1A 1757/4885BRD4 645/4885ATAD2 4054/4885

“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.