SCHEMBL12499637

SCHEMBL12499637

CNc1cc(C)nc(NC)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.58
▸ NOS2 P35228 1/20 0.58
▸ ALOX15 P16050 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ HTR6 P50406 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NUDT1 P36639 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL11445700 0.85 MAPT (0.50) NOS3NOS2ALOX15ALDH1A1MAPT
SCHEMBL3266109 0.85 MAPT (0.53) NOS3NOS2ALDH1A1MAPTPOLB
SCHEMBL12411159 0.81 NOS3 (0.48) NOS3NOS2ALOX15ALDH1A1POLB
SCHEMBL25166554 0.81 NOS3 (0.48) NOS3NOS2ALOX15ALDH1A1MAPT
SCHEMBL4915813 0.78 NOS3 (0.60) NOS3NOS2ALOX15ALDH1A1MAPT
SCHEMBL9852822 0.77 TAAR1 (0.64) ALOX15MAPTPOLBKDM4ENPSR1
SCHEMBL15360223 0.74 DNM2 (0.66) ALDH1A1CYP2C19LMNAHTTSMN1; SMN2
SCHEMBL3474098 0.74 NOS3 (0.56) NOS3NOS2ALOX15ALDH1A1MAPT
SCHEMBL22556734 0.74 NOS3 (0.56) NOS3NOS2ALOX15ALDH1A1MAPT
SCHEMBL10285741 0.74 MAPT (0.46) NOS3NOS2ALOX15ALDH1A1MAPT

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
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
US-9868705-B2 Tetra-aryl cyclobutane inhibitors of androgen receptor action for the treatment of hormone refractory cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-01-16 — — US disclosed
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 — — US disclosed
WO-2015048246-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-02 — — WO disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 — — US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 — — 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-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER AR, FSHR, ESRRB NOS3 4759/4885NOS2 4845/4885ALOX15 3932/4885
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD NOS3 3545/4885NOS2 3122/4885ALOX15 4110/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD NOS3 3545/4885NOS2 3122/4885ALOX15 4110/4885

“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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