SCHEMBL4909608

SCHEMBL4909608

Cc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.64
TOP2B Q02880 2/20 0.64
KDM1A O60341 12/20 0.62
POLB P06746 3/20 0.54
RAD52 P43351 3/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 2/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL10313317 0.92 KDM1A (0.72) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL18407164 0.89 TOP2A (0.73) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL8111716 0.82 TOP2A (0.64) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9299406 0.82 TOP2A (0.68) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL7563689 0.80 TOP2A (0.77) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL17154397 0.80 KDM1A (0.68) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL14116115 0.80 KDM1A (0.68) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL7564567 0.79 TOP2A (0.82) TOP2ATOP2BKDM1AKMT2AMEN1
SCHEMBL29536689 0.78 TOP2A (1.00) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL1865418 0.78 TOP2A (1.00) TOP2ATOP2BKDM1APOLBRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
US-8222297-B2 e.g. 1-[3-(acridin-9-ylamino)-5-hydroxymethylphenyl]-3-{4-[bis(2-chloroethyl)amino]phenyl}urea; anticarcinogenic agent; improved chemical stability and efficacy; brain tumor, breast cancer, colon cancer, leukemia, and neuroblastoma ACADEMIA SINICA (TW) 2012-07-17 US disclosed
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2008-07-17 US disclosed
US-6821983-B2 INHIBITORS OF TOPOISOMERASE II CAN EXHIBIT ANTITUMOR ACTIVITY ACADEMIA SINICA (TW) 2004-11-23 US disclosed
US-20040198765-A1 5-(9-ACRIDINYLAMINO)-TOLUIDINE COMPOUNDS ACADEMIA SINICA (TW) 2004-10-07 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 (3 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-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents WEE1, PCNA, ATIC TOP2A 16/4885TOP2B 19/4885KDM1A 722/4885
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS PCNA, WEE1, UNG TOP2A 6/4885TOP2B 15/4885KDM1A 995/4885
US-20040198765-A1 5-(9-ACRIDINYLAMINO)-TOLUIDINE COMPOUNDS DPP9, NANP, NAT1 TOP2A 3007/4885TOP2B 3144/4885KDM1A 3382/4885

“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.