Sugi Predict

Sugi Predict / Compounds / SCHEMBL3312100

SCHEMBL3312100

SCHEMBL3312100

CCn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.57
▸ CYP1A2 P05177 1/20 0.53
▸ CDC7 O00311 1/20 0.46
▸ MAPT P10636 6/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ AR P10275 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40

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
SCHEMBL15712293 0.88 HTR7 (0.62) HTR7CYP1A2CDC7MAPTMEN1
SCHEMBL2420811 0.87 CYP1A2 (0.53) HTR7CYP1A2MAPTMEN1LMNA
SCHEMBL17023236 0.85 HTR7 (0.59) HTR7CYP1A2CDC7MAPTAR
SCHEMBL27732789 0.84 HTR7 (0.54) HTR7CYP1A2CDC7MAPTMEN1
SCHEMBL15712296 0.83 HTR7 (0.54) HTR7CYP1A2CDC7MAPTMEN1
SCHEMBL13139566 0.82 HTR7 (0.53) HTR7CYP1A2CDC7MAPTMEN1
SCHEMBL28530268 0.81 HTR7 (0.52) HTR7CYP1A2CDC7MAPTMEN1
SCHEMBL1122099 0.81 HTR7 (0.52) HTR7CYP1A2CDC7MAPTMEN1
SCHEMBL27840556 0.81 HTR7 (0.52) HTR7CYP1A2CDC7MAPTMEN1
SCHEMBL1122380 0.81 HTR7 (0.58) HTR7CYP1A2CDC7MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2020-05-05 — — US disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 — — EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 — — EP disclosed
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2018-03-15 — — US disclosed
US-9850227-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2017-12-26 — — US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 — — US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 — — US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 — — US disclosed
EP-2678331-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-04-27 — — EP disclosed
CN-103391935-B Diaminopyrimidine derivatives and process for preparing same Liu Hanyangxing (KR) 2015-12-23 — — CN disclosed
WO-2014069510-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-05-08 — — WO disclosed
EP-2678331-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 — — EP disclosed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 — — EP disclosed
US-20130331377-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2013-12-12 — — US disclosed
CN-103391935-A Diaminopyrimidine derivatives and process for preparing same YUHAN CORP 2013-11-13 — — CN disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 — — US disclosed
WO-2012115478-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 — — WO disclosed
CN-102203280-A Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS INC 2011-09-28 — — CN disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 — — US disclosed
WO-1996004906-A1 COMPOUNDS FOR THE TREATMENT OF RESTENOSIS THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-22 — — WO 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-20130331377-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HTR7 54/4885CYP1A2 1499/4885CDC7 2005/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 HTR7 54/4885CYP1A2 1499/4885CDC7 2005/4885
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 HTR7 2557/4885CYP1A2 571/4885CDC7 982/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HTR7 54/4885CYP1A2 1499/4885CDC7 2005/4885

“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.