SCHEMBL13727098

SCHEMBL13727098

Cc1cccc2c1CNC(c1ccc(C(F)(F)F)nc1)c1cccn1-2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.45
▸ MEN1 O00255 10/20 0.45
▸ ATM Q13315 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.34

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
Hydrochloric Acid SCHEMBL15466249 0.99 KMT2A (0.47) KMT2AMEN1ATMSMN1; SMN2TSHR
SCHEMBL13726674 0.88 KMT2A (0.48) KMT2AMEN1ATMSMN1; SMN2TSHR
SCHEMBL13726561 0.88 KMT2A (0.45) KMT2AMEN1ATMSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL15466041 0.88 KMT2A (0.50) KMT2AMEN1ATMSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL15465626 0.87 KMT2A (0.47) KMT2AMEN1ATMSMN1; SMN2TSHR
SCHEMBL13727527 0.83 KMT2A (0.62) KMT2AMEN1ATMSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL15465698 0.82 KMT2A (0.64) KMT2AMEN1ATMSMN1; SMN2TSHR
SCHEMBL13726995 0.80 KMT2A (0.41) KMT2AMEN1ATMSMN1; SMN2TSHR
SCHEMBL13728225 0.74 KMT2A (0.47) KMT2AMEN1ATMSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL15465050 0.74 KMT2A (0.48) KMT2AMEN1ATMSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674226-B Antifungal compounds substituted with heterocyclic derivatives 詹森药业有限公司 2020-05-26 — — CN disclosed
US-9975899-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-05-22 — — US disclosed
US-20170073348-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-16 — — US disclosed
EP-2707370-B1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-04-29 — — EP disclosed
EP-2707370-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2014-03-19 — — EP disclosed
WO-2012150305-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO- DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2012-11-08 — — 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 (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-20170073348-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES GABBR1, HRH4, CYP1B1 KMT2A 1516/4885MEN1 2589/4885ATM 4777/4885

“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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