SCHEMBL20073910

SCHEMBL20073910

CC(C)COC(=O)Nc1ccc(-c2cc(N)n[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
DYRK1A Q13627 1/20 0.46
HDAC3 O15379 1/20 0.46
TNIK Q9UKE5 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL20073913 0.84 SMN1; SMN2 (0.48) KDRSMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL20073912 0.83 SMN1; SMN2 (0.47) KDRSMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL20064692 0.79 KDR (0.57) KDRSMN1; SMN2HDAC1HDAC2DYRK1A
SCHEMBL6810771 0.76 SMN1; SMN2 (0.60) SMN1; SMN2HDAC1HDAC2HDAC3NPC1
SCHEMBL11117694 0.75 SMN1; SMN2 (0.47) KDRSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL7465015 0.72 RAB9A (0.56) KDRSMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL10192028 0.72 SMN1; SMN2 (0.61) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL2322638 0.72 SMN1; SMN2 (0.61) SMN1; SMN2NPC1MAPTRAB9AMAPKAPK2
SCHEMBL5241817 0.70 BCHE (0.59) SMN1; SMN2MAPTMAPKAPK2ALDH1A1LMNA
SCHEMBL22550549 0.70 SMN1; SMN2 (0.60) SMN1; SMN2NPC1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDR 850/4885SMN1; SMN2 515/4885HDAC1 2024/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KDR 850/4885SMN1; SMN2 515/4885HDAC1 2024/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP KDR 850/4885SMN1; SMN2 515/4885HDAC1 2024/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KDR 850/4885SMN1; SMN2 515/4885HDAC1 2024/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KDR 850/4885SMN1; SMN2 515/4885HDAC1 2024/4885

“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.