SCHEMBL1831590

SCHEMBL1831590

NCCCNc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.56
HRH3 Q9Y5N1 1/20 0.54
CXCR4 P61073 1/20 0.53
FABP1 P07148 1/20 0.52
FABP6 P51161 1/20 0.52
DRD2 P14416 2/20 0.48
ADRA1A P35348 2/20 0.48
DRD3 P35462 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HRH1 P35367 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
KARS1 Q15046 1/20 0.45
CYP2D6 P10635 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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 SCHEMBL6300353 0.98 CYP1A2 (0.56) CYP1A2CYP2C19HRH3CXCR4FABP1
SCHEMBL1831059 0.94 CYP1A2 (0.56) CYP1A2CYP2C19HRH3CXCR4FABP1
Hydrochloric Acid SCHEMBL6302628 0.93 CYP1A2 (0.54) CYP1A2CYP2C19HRH3CXCR4FABP1
SCHEMBL4715114 0.93 CYP1A2 (0.54) CYP1A2CYP2C19HRH3CXCR4FABP1
SCHEMBL10887684 0.93 CYP1A2 (0.54) CYP1A2CYP2C19HRH3CXCR4FABP1
SCHEMBL450877 0.88 CYP1A2 (0.61) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL10861718 0.88 CYP1A2 (0.66) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL3265804 0.88 CYP1A2 (0.70) CYP1A2CYP2C19CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL7518301 0.86 CYP1A2 (0.59) CYP1A2CYP2C19CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL5270311 0.86 CYP1A2 (0.59) CYP1A2CYP2C19CXCR4FABP1FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260108521-A1 GSPT1 DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2026-04-23 US disclosed
WO-2025235957-A1 P53 MUTANT STABILIZER AND USES THEREOF FRONTIER MEDICINES CORPORATION (US) 2025-11-13 WO disclosed
EP-4598918-A1 GSPT1 DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2025-08-13 EP disclosed
US-20250161307-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2025-05-22 US disclosed
US-20250017940-A1 SELECTIVE PEPTIDOMIMETIC MODULATORS OF CAV2.2 (N-TYPE) VOLTAGE-GATED CALCIUM CHANNELS AND USES THEREOF NEW YORK UNIVERSITY (US) 2025-01-16 US disclosed
EP-4469454-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE Janssen Pharmaceutica NV (BE) 2024-12-04 EP disclosed
WO-2024073871-A1 GSPT1 DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-04-11 WO disclosed
WO-2024073871-A1 GSPT1 DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-04-11 WO disclosed
WO-2023141866-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 WO disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-4548940-A Pyridylaminoalkylaminopyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-22 US disclosed
US-4547506-A 2-Pyridylaminoakylamino-4-pyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-15 US disclosed
US-4532246-A 2-(2-Pyridylaminoalkylamino)-4-pyrimidones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-07-30 US disclosed
EP-0113572-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-18 EP disclosed
EP-0112707-A2 Aminopyrimidinone derivatives as histamine H1-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-04 EP disclosed
EP-0112704-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-04 EP disclosed
EP-0094595-A1 Aziridine and phenylethanol amine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 EP disclosed
US-4104382-A (((THIAZOLYL-, ISOTHIAZOLYL- OR PYRIDYLALKYL)THIO)ALKYL)GUANIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-01 US disclosed
US-4018928-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-4000302-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-12-28 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-20260108521-A1 GSPT1 DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME GHSR, GSPT1, GLRA1 CYP1A2 759/4885CYP2C19 1298/4885HRH3 645/4885
US-20250161307-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE SMOX, SRM, SMS CYP1A2 423/4885CYP2C19 727/4885HRH3 458/4885
US-20250017940-A1 SELECTIVE PEPTIDOMIMETIC MODULATORS OF CAV2.2 (N-TYPE) VOLTAGE-GATED CALCIUM CHANNELS AND USES THEREOF CACNA1B, CACNA1E, CACNA1D CYP1A2 3325/4885CYP2C19 4601/4885HRH3 1099/4885

“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.