SCHEMBL5692103

SCHEMBL5692103

CCN(CC)C(C)CCN

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.33
GABBR2 O75899 2/20 0.32
GABBR1 Q9UBS5 2/20 0.32

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
Water SCHEMBL28248321 0.97 GABRR1 (0.32) GABRR1GABBR2GABBR1
Bromide SCHEMBL28248884 0.97 GABRR1 (0.32) GABRR1GABBR2GABBR1
Hydrochloric Acid SCHEMBL28248327 0.97 GABRR1 (0.32) GABRR1GABBR2GABBR1
Iodide SCHEMBL28865549 0.97 GABRR1 (0.32) GABRR1GABBR2GABBR1
SCHEMBL1291871 0.84 DNM1 (0.32)
SCHEMBL2565949 0.82 FDPS (0.33)
SCHEMBL10355799 0.79 FDPS (0.33) GABRR1GABBR2GABBR1
SCHEMBL15134141 0.78 GABRR1 (0.33) GABRR1GABBR2GABBR1
SCHEMBL20186677 0.77
SCHEMBL10285142 0.77 TSHR (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108722479-B Ionic liquid catalyst, preparation method and application thereof 华中科技大学 2020-05-19 CN disclosed
EP-3294741-B1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISO PROPYLPYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-05-01 EP disclosed
US-9957273-B2 5-substituted 7- [4-(2-pyridyl)phenylmethylamino] -3-isopropylpyrazolo4,3-D]pyrimidine derivatives, use thereof as medicaments, and pharmaceutical compositions USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-05-01 US disclosed
US-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-03-15 US disclosed
EP-1433801-B1 Isocyanate crosslinked episulfide resin composition MITSUBISHI GAS CHEMICAL CO (JP) 2006-04-19 EP disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO disclosed
EP-1075261-A1 MYCOBACTERIAL INHIBITORS AstraZeneca AB (SE) 2001-02-14 EP disclosed
WO-1999065483-A1 MYCOBACTERIAL INHIBITORS ASTRAZENECA AB (SE) 1999-12-23 WO disclosed
US-4585869-A ANTIINFLAMMATORY, ANALGESIC, ANTIULCER ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-04-29 US disclosed
US-4549023-A ANTINFLAMMATORY AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-10-22 US disclosed
EP-0049779-B1 3-AMINOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed
US-4474964-A 3-Aminoindazole derivatives ASAHI, KASEI, KOGYO, KABUSHIKI, KAISHA (JP) 1984-10-02 US disclosed
EP-0049779-A1 3-Aminoindazole derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-21 EP disclosed
US-4048322-A Bronchially effective xanthene-9-carboxylates RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1977-09-13 US disclosed
US-4044146-A CHOLINOLYTIC, BRONCHOSPASMOLYTIC RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1977-08-23 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 (1 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-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS CDK5, CDK2, CDK4 GABRR1 4790/4885GABBR2 4540/4885GABBR1 4487/4885

“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.