SCHEMBL4409938

SCHEMBL4409938

Cc1ccc2nc(NC=N)nc(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 6/20 0.54
MAPT P10636 7/20 0.50
STAT3 P40763 1/20 0.48
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAD52 P43351 1/20 0.44
NPY2R P49146 1/20 0.43
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL14148998 0.76 KDM4E (0.59) ALDH1A1KDM4EMAPTSTAT3KMT2A
SCHEMBL3470444 0.75 KDM4E (0.58) ALDH1A1KDM4EMAPTSTAT3KMT2A
SCHEMBL6183937 0.74 KDM4E (0.53) ALDH1A1KDM4EMAPTSTAT3KMT2A
SCHEMBL28874875 0.73 KDM4E (0.52) ALDH1A1KDM4EMAPTSTAT3KMT2A
SCHEMBL12501247 0.71 LMNA (0.54) ALDH1A1KDM4EMAPTSTAT3KMT2A
SCHEMBL4099271 0.70 KDM4E (0.66) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4099273 0.70 KDM4E (0.66) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL119513 0.69 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTSTAT3KMT2A
SCHEMBL12501245 0.68 LMNA (0.51) ALDH1A1KDM4EMAPTSTAT3KMT2A
SCHEMBL15450912 0.68 ALDH1A1 (0.60) ALDH1A1KDM4EKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210215670-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-20210215671-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-10955408-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2021-03-23 US disclosed
US-20200049693-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2020-02-13 US disclosed
US-10018619-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2018-07-10 US disclosed
US-9795610-B2 Theramutein modulators Housey, Gerard M. (US) 2017-10-24 US disclosed
US-9645137-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2017-05-09 US disclosed
US-9579326-B2 Theramutein modulators HMI Medical Innovations, LLC (US) 2017-02-28 US disclosed
US-20150133441-A1 THERAMUTEIN MODULATORS HMI MEDICAL INNOVATIONS, LLC. 2015-05-14 US disclosed
US-8431110-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI MEDICAL INNOVATIONS, LLC. (US) 2013-04-30 US disclosed
US-8367038-B2 Blocking or activation of endogenous proteins variations rncoded by mutated gees HMI Medical Innovations, LLC (US) 2013-02-05 US disclosed
EP-2447252-A2 Theramutein modulators Housey, Gerard M. (US) 2012-05-02 EP disclosed
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees HMI MEDICAL INNOVATIONS, LLC. 2008-10-30 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-20150133441-A1 THERAMUTEIN MODULATORS TSG101, SERPINE1, PLAUR ALDH1A1 4411/4885KDM4E 4221/4885MAPT 2984/4885
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees SERBP1, SERPINA6, UBE2V1 ALDH1A1 3621/4885KDM4E 4172/4885MAPT 4644/4885

“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.