Sugi Predict

Sugi Predict / Compounds / SCHEMBL377396

SCHEMBL377396

SCHEMBL377396

O=c1[nH]c2cccc3c2n1CCNC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 13/20 0.51
▸ DRD2 P14416 5/20 0.51
▸ DRD3 P35462 5/20 0.51
▸ CCNE2 O96020 2/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ CCND1 P24385 2/20 0.48
▸ CCNE1 P24864 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ HTR2C P28335 4/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL291485 0.81 HTR2C (0.46) HTR1ADRD2CCNE2CDK4CCND1
Hydrochloric Acid SCHEMBL7001168 0.81 HTR2C (0.52) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4850347 0.79 HTR1A (0.55) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL4573122 0.78 HTR1A (0.54) HTR1ADRD2DRD3CCNE2CDK4
SCHEMBL9012725 0.74 HTR1A (0.43) HTR1ADRD2DRD3
SCHEMBL7160420 0.72 PARP1 (0.52) —
SCHEMBL1684261 0.72 HTR1A (0.58) HTR1ADRD2DRD3HTR2CHTR2A
SCHEMBL7392335 0.72 HTR1A (0.58) HTR1ADRD2DRD3HTR2CHTR2A
SCHEMBL7908059 0.72 HTR1A (0.58) HTR1ADRD2DRD3HTR2CHTR2A
SCHEMBL29532101 0.72 HTR1A (0.58) HTR1ADRD2DRD3HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808743-A1 HIV REPLICATION INHIBITING PYRIMIDINES Janssen Pharmaceutica NV (BE) 2021-04-21 — — EP claimed
US-9938528-B2 Methods and pharmaceutical compositions for treating human immunodeficiency virus type 1 (HIV-1) infections INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-04-10 — — US claimed
US-20170342411-A1 Methods and Pharmaceutical Compositions for Treating Human Immunodeficiency Virus Type 1 (HIV-1) Infections ASSISTANCE PUBLIQUE-HÔPITAUX DE PARIS (APHP) (FR) 2017-11-30 — — US claimed
EP-3230455-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1) INFECTIONS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2017-10-18 — — EP claimed
WO-2016092041-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1) INFECTIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-06-16 — — WO claimed
US-20090317418-A1 VACCINES AND METHODS FOR PREVENTION AND TREATMENT OF DRUG-RESISTANT HIV-1 AND HEPATITIS B VIRUS THE GOV'T OF USOA as represented by the SECRETARY OF THE DEPT OF HHS (US) 2009-12-24 — — US claimed
EP-0794793-B1 COMPOSITION FOR PREVENTION AND TREATMENT OF HIV-1 INFECTION COMPRISING AT LEAST TWO DIFFERENT HIV-1 REVERSE TRANSCRIPTASE INHIBITORS REGA INST (BE) 2007-01-10 — — EP claimed
US-6962916-B2 Substituted diamino-1,3,5-triazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-08 — — US claimed
US-20030199473-A1 Substituted diamino-1,3,5-triazine derivatives JANSSEN PHARMACEUTICA N.V. 2003-10-23 — — US claimed
WO-1997016543-A9 STRUCTURE BASED DESIGN OF INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE — 1997-07-24 — — WO claimed
WO-1997016543-A1 STRUCTURE BASED DESIGN OF INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 1997-05-09 — — WO claimed
EP-0639971-A1 THERAPEUTIC COMBINATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-01 — — EP claimed
WO-1993023021-A2 THERAPEUTIC COMBINATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1993-11-25 — — WO claimed
EP-0384522-B1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-13 — — EP claimed
EP-0384522-A1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-29 — — EP claimed
WO-2025133390-A1 ANTI-FUNGAL VHH ANTIBODIES Biotalys NV (BE) 2025-06-26 — — WO disclosed
US-20250051287-A1 METHOD FOR PREPARATION OF BENZIMIDAZOLE DERIVATIVES HK INNO.N CORPORATION (KR) 2025-02-13 — — US disclosed
EP-0384522-B1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-13 — — EP disclosed
WO-1992002484-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY ALDER RESEARCH CENTER LIMITED PARTNERSHIP (US) 1992-02-20 — — WO disclosed
EP-0384522-A1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-29 — — 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 (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-20030199473-A1 Substituted diamino-1,3,5-triazine derivatives CCR1, CCR6, CCR5 HTR1A 151/4885DRD2 71/4885DRD3 33/4885
US-20250051287-A1 METHOD FOR PREPARATION OF BENZIMIDAZOLE DERIVATIVES CYP3A4, CYP3A5, TMBIM6 HTR1A 2247/4885DRD2 2724/4885DRD3 2204/4885

“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.