SCHEMBL2167882

SCHEMBL2167882

Nc1nccc(N2CCNCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 1.00
▸ HRH4 Q9H3N8 8/20 0.65
▸ PLD1 Q13393 1/20 0.51
▸ CYP1A2 P05177 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HTR3E A5X5Y0 2/20 0.49
▸ HTR3B O95264 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HTR3A P46098 2/20 0.49
▸ HTR3D Q70Z44 2/20 0.49
▸ HTR3C Q8WXA8 2/20 0.49
▸ ADRB1 P08588 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47

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
Hydrochloric Acid SCHEMBL3781500 0.98 HRH3 (0.97) HRH3HRH4PLD1CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL26600058 0.98 HRH3 (0.97) HRH3HRH4PLD1CYP1A2HSD17B10
SCHEMBL13018668 0.94 HRH3 (0.88) HRH3HRH4PLD1CYP1A2HSD17B10
SCHEMBL30411053 0.85 HRH3 (0.73) HRH3HRH4PLD1CYP1A2HSD17B10
SCHEMBL13018670 0.84 HRH3 (0.76) HRH3HRH4CYP1A2HSD17B10CYP2C9
SCHEMBL17626748 0.83 HRH3 (0.71) HRH3HRH4ROCK1
SCHEMBL14880196 0.83 HRH3 (0.71) HRH3HRH4HSD17B10USP2HTT
SCHEMBL10932400 0.81 HRH3 (0.69) HRH3HRH4HSD17B10USP2HTT
Bromide SCHEMBL20445910 0.81 HRH3 (0.69) HRH3HRH4HSD17B10USP2HTT
SCHEMBL13018665 0.79 HRH3 (0.65) HRH3HRH4CYP1A2HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 — — US claimed
JP-58046084-A — — None — — JP disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 — — US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 — — US disclosed
WO-2023125908-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 — — WO disclosed
CN-111423384-B 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2021-10-15 — — CN disclosed
CN-111423384-A 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2020-07-17 — — CN disclosed
EP-2773632-B1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-12 — — EP disclosed
US-9023834-B2 Lyophilization formulation TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2015-05-05 — — US disclosed
CN-104203937-A 8-fluorophthalazin-1 (2h) - one compounds as inhibitors of btk activity HOFFMANN LA ROCHE 2014-12-10 — — CN disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 — — US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 — — US disclosed
WO-2010056847-A2 LYOPHILIZATION FORMULATION TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-05-20 — — WO disclosed
US-20100120719-A1 LYOPHILIZATION FORMULATION TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-05-13 — — US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 — — US disclosed
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 — — WO disclosed
EP-0644885-A1 NOVEL BIOLOGICALLY ACTIVE EBURNAMENINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHETER GEDEON VEGYESZETI GYAR RT. (HU) 1995-03-29 — — EP disclosed
JP-S5846084-A PYRIMIDINOAMINOMETHYLENEMALONIC ACID ESTER AND ITS PREPARATION MITSUI PETROCHEM IND LTD 1983-03-17 — — JP disclosed
US-4166852-A ANALGESICS, ANTISEROTONINE AGENTS, PSYCHOTROPES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1979-09-04 — — 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 (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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 HRH3 4494/4885HRH4 4558/4885PLD1 1658/4885
US-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH3 2/4885HRH4 1/4885PLD1 2050/4885
US-20100120719-A1 LYOPHILIZATION FORMULATION DPYD, TYMP, TYMS HRH3 2659/4885HRH4 1679/4885PLD1 4209/4885
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HRH3 3/4885HRH4 2/4885PLD1 1534/4885

“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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