SCHEMBL18198323

SCHEMBL18198323

Nc1cc(-c2ccc3c(c2)CCC(=O)N3)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KIF11 P52732 1/20 0.52
▸ CYP11B1 P15538 3/20 0.52
▸ CYP11B2 P19099 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ PDE3B Q13370 2/20 0.52
▸ PDE3A Q14432 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ TBXAS1 P24557 1/20 0.52
▸ TNIK Q9UKE5 3/20 0.52
▸ NPC1 O15118 2/20 0.49
▸ MMP12 P39900 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2B6 P20813 1/20 0.47
▸ CYP2C19 P33261 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
SCHEMBL24428038 0.78 CYP11B1 (0.60) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL4594845 0.77 KIF11 (0.68) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL736368 0.73 CA9 (0.73) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL4896377 0.72 KIF11 (0.57) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL24726082 0.72 PDE3B (0.53) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL5068409 0.72 MAPT (1.00) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL3306566 0.72 KIF11 (0.69) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL1119981 0.72 CYP11B1 (0.72) ALDH1A1MAPTSMN1; SMN2POLBHTT
Hydrochloric Acid SCHEMBL17544899 0.72 CA9 (0.71) ALDH1A1MAPTSMN1; SMN2POLBHTT
Hydrochloric Acid SCHEMBL21799330 0.71 MAPT (0.97) ALDH1A1MAPTSMN1; SMN2POLBHTT

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-3288942-B1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-10-27 — — EP disclosed
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds Janssen Sciences Ireland Unlimited Company (IE) 2021-08-10 — — US disclosed
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-07-16 — — US disclosed
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2019-08-15 — — US disclosed
US-10208048-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-02-19 — — US disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 — — US disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 — — US disclosed
WO-2016174079-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-11-03 — — 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 (5 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-10208048-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885SMN1; SMN2 515/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885SMN1; SMN2 515/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885SMN1; SMN2 515/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885SMN1; SMN2 515/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885SMN1; SMN2 515/4885

“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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