SCHEMBL1964262

SCHEMBL1964262

[N-]=[N+]=C1C(=O)Nc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.46
FLT3 P36888 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CDK2 P24941 3/20 0.40
CCNE1 P24864 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CCNE2 O96020 1/20 0.40
KDR P35968 2/20 0.40
RPS6KA3 P51812 1/20 0.39

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
SCHEMBL5568184 0.79 TGM2 (0.61) LRRK2MEN1KMT2ARPS6KA3
SCHEMBL11546561 0.79 TGM2 (0.61) LRRK2MAOAMAOBKDRRPS6KA3
5-Fluoroisatin SCHEMBL183575 0.76 MAOB (0.61) LRRK2CA1CA2MAOAMAOB
SCHEMBL11632681 0.76 ALDH1A1 (0.64) LRRK2FLT3CDK2CCNE1MAOA
SCHEMBL29548142 0.74 LRRK2 (0.55) LRRK2MEN1KMT2AMAOAMAOB
5-Fluoroisatin SCHEMBL28512324 0.74 MAOB (0.59) LRRK2CA1CA2MAOAMAOB
SCHEMBL10627555 0.74 LRRK2 (0.55) LRRK2MEN1KMT2AMAOAMAOB
SCHEMBL15145700 0.73 LRRK2 (0.49) LRRK2FLT3MEN1KMT2ACA1
5-Fluoroisatin SCHEMBL29155951 0.73 MAOB (0.58) LRRK2CA1CA2MAOAMAOB
SCHEMBL12327593 0.73 FLT3 (0.50) LRRK2FLT3MEN1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130346-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2021-05-06 US disclosed
EP-3609896-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2020-02-19 EP disclosed
WO-2018188047-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2018-10-18 WO disclosed
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2509946-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 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 (3 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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 LRRK2 478/4885FLT3 4115/4885MEN1 2653/4885
US-20210130346-A1 Bromodomain Inhibitors BRD4, BRD1, BRD3 LRRK2 1524/4885FLT3 1454/4885MEN1 730/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 LRRK2 500/4885FLT3 4159/4885MEN1 2656/4885

“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.