SCHEMBL230691

SCHEMBL230691

C[C](C)Cc1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IDO1 P14902 1/20 0.40
POLB P06746 1/20 0.37
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
VNN1 O95497 2/20 0.35
BAZ2B Q9UIF8 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34
MC3R P41968 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4086758 0.83 IDO1 (0.44) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL20019660 0.83 IDO1 (0.38) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL12676829 0.81 IDO1 (0.37) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL1926906 0.79 IDO1 (0.42) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL28249390 0.77 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL874457 0.76 KDM4E (0.48) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL10715442 0.75 IDO1 (0.42) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL980114 0.75
SCHEMBL30390174 0.74
SCHEMBL309452 0.74

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023709-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2019-01-24 US disclosed
US-10100056-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-10-16 US disclosed
CN-106459002-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2018-08-21 CN disclosed
US-20170253596-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO TARO PHARMACEUTICALS INC. (CA) 2017-09-07 US disclosed
CN-106795147-A Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use 美国安进公司 2017-05-31 CN disclosed
US-9434721-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2016-09-06 US disclosed
CN-105753858-A Heterocyclic compound and p27Kip1 degradation inhibitor ASKA制药株式会社 2016-07-13 CN disclosed
US-20160083387-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2016-03-24 US disclosed
EP-2970100-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals (Canada) Inc. (CA) 2016-01-20 EP disclosed
WO-2014143561-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-09-18 WO disclosed
CN-1306935-C Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
US-6156895-A Process for preparing 4-tert-butyloxycarbonyl-(S)-piperazine-2-tert-butylcarboxamide MERCK & CO., INC. (US) 2000-12-05 US disclosed
US-6043387-A USEFUL AS KEY COMPONENTS IN CATALYSTS FOR ASYMMETRIC REACTIONS, PROVIDING DESIRABLY HIGH ENANTIOMERIC EXCESS MERCK & CO., INC. (US) 2000-03-28 US disclosed
CN-1039999-C Vasopressin antagonist and oxytocin antagonist, process for their preparation and pharmaceutical compositions containing them OTSUKA CHEMICAL CO LTD (JP) 1998-09-30 CN disclosed
CN-1183277-A Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 1998-06-03 CN disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5663341-A RACEMIZATION OF OPTICALLY PURE OR ENRICHED PIPERAZINE-2-TERT-BUTYLCARBOXAMIDE MERCK & CO., INC. (US) 1997-09-02 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP 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 (4 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-20190023709-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PPP1R1B, PPM1A HDAC3 1348/4885HDAC1 360/4885HDAC2 1176/4885
US-20160083387-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PPP1R1B, PPM1A HDAC3 1348/4885HDAC1 360/4885HDAC2 1176/4885
US-20170253596-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PPP1R1B, PPM1A HDAC3 1348/4885HDAC1 360/4885HDAC2 1176/4885
US-10100056-B2 SHIP1 modulators and methods related thereto PPM1D, PPP1R1B, PPM1A HDAC3 1348/4885HDAC1 360/4885HDAC2 1176/4885

“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.