SCHEMBL16240445

SCHEMBL16240445

C[N+](C)(CCN)c1nc2ccccc2c2[nH]c3ccccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.48
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ UHRF1 Q96T88 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 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
SCHEMBL2970235 0.71 DYRK1A (0.60) DYRK1AMAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL3509241 0.70 DYRK1A (0.59) DYRK1AMAPTKDM4EALDH1A1LMNA
SCHEMBL2970653 0.68 DYRK1A (0.60) DYRK1AMAPTKDM4EALDH1A1LMNA
SCHEMBL3508559 0.68 DYRK1A (0.56) DYRK1AMAPTKDM4EALDH1A1LMNA
SCHEMBL23594853 0.67 DYRK1A (0.59) DYRK1AMAPTKDM4EALDH1A1LMNA
SCHEMBL28684906 0.66 DYRK1A (0.57) DYRK1AMAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4509842 0.66 ITK (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL22463059 0.65 DYRK1A (1.00) DYRK1AMAPTKDM4EALDH1A1LMNA
SCHEMBL3510262 0.63 TERT (0.63) DYRK1APOLBTERT
SCHEMBL2967645 0.62 NQO1 (0.63) DYRK1AALDH1A1POLBKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343128-A1 Combination of a phosphoinositide 3-kinase inhibitor and a modulator of the Janus Kinase 2 - Signal Transducer and Activator of Transcription 5 pathway NOVARTIS AG (CH) 2014-11-20 — — 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 (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-20140343128-A1 Combination of a phosphoinositide 3-kinase inhibitor and a modulator of the Janus Kinase 2 - Signal Transducer and Activator of Transcription 5 pathway JAK2, STAT5B, STAT5A DYRK1A 362/4885MAPT 4146/4885KDM4E 1414/4885

“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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