SCHEMBL16259907

SCHEMBL16259907

Cc1cc(Cl)nc(Cl)c1N=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ MAPK9 P45984 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31

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
SCHEMBL16476670 0.71 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL12602353 0.70 PDK2 (0.31) —
SCHEMBL11985859 0.70 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL3752930 0.70 CYP3A4 (0.40) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL31396216 0.70 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL473877 0.68 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL29384281 0.68 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL23797878 0.67 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL31178437 0.67 KMT2A (0.42) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL8545318 0.67 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 — — US disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 — — 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 (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-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE PKD1, PKD2, REN SMN1; SMN2 1147/4885ALDH1A1 777/4885MAPK1 1529/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN SMN1; SMN2 1225/4885ALDH1A1 766/4885MAPK1 1554/4885

“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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