SCHEMBL4547142

SCHEMBL4547142

COCCN1CCC(NN)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
BRD4 O60885 2/20 0.38
ATAD2 Q6PL18 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
HTR4 Q13639 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PABPC1 P11940 1/20 0.36
HSD11B1 P28845 1/20 0.36
ACKR3 P25106 1/20 0.36
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCNA2 P20248 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 0.36
BTK Q06187 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 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 0.82 KDM1A (0.49) KDM1ABRD4ATAD2EHMT2HTR4
SCHEMBL18551063 0.81 KDM1A (0.48) KDM1ABRD4ATAD2EHMT2HTR4
SCHEMBL4547144 0.79 KDM1A (0.50) KDM1ABRD4ATAD2EHMT2HTR4
SCHEMBL18873644 0.79 KDM1A (0.47) KDM1ABRD4ATAD2EHMT2HTR4
SCHEMBL12395763 0.78 KDM1A (0.46) KDM1ABRD4ATAD2EHMT2HTR4
SCHEMBL2621574 0.78 KDM1A (0.46) KDM1ABRD4ATAD2EHMT2HTR4
SCHEMBL1957601 0.78 GNAI3 (0.50) KDM1ASMN1; SMN2HSD11B1ALDH1A1PARP1
SCHEMBL11575424 0.78 PABPC1 (0.46) PABPC1POLBHTT
SCHEMBL22702051 0.78 KDM1A (0.43) KDM1ABRD4ATAD2EHMT2HTR4
SCHEMBL27517725 0.78 LTA4H (0.53) KDM1AHTR4SMN1; SMN2HSD11B1ACKR3

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-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
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-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
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.