SCHEMBL4515850

SCHEMBL4515850

[c]1[nH]ccc1N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.44
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
PLD1 Q13393 2/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL9764571 0.93 CHRNB2 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11053972 0.87
SCHEMBL1385232 0.83 CHKA (0.32) KDM4EALDH1A1
SCHEMBL6751496 0.81 ALDH1A1 (0.33) KDM4EALDH1A1
SCHEMBL8410646 0.78 LMNA (0.41) KDM4EALDH1A1
SCHEMBL15421672 0.72 MEN1 (0.30) CHRM2CHRM1
SCHEMBL4660475 0.71 SLC6A2 (0.37)
SCHEMBL27892685 0.67 ADRB1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4677595 0.65 ADRB1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL188699 0.65 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP claimed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 US claimed
WO-2018152368-A1 PYRROLO [1,2-B] PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2018-08-23 WO claimed
US-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2009-11-12 US claimed
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP disclosed
CN-115667553-A Small molecule inhibitors of oncogenic CHD1L with preclinical activity against colorectal cancer 科罗拉多州立大学董事会法人团体 2023-01-31 CN disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 US disclosed
WO-2018152368-A1 PYRROLO [1,2-B] PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2018-08-23 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 (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-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 ADRB1 14/4885HTR3E 517/4885HTR3B 98/4885
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 ADRB1 1062/4885HTR3E 3851/4885HTR3B 1861/4885

“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.