SCHEMBL908328

SCHEMBL908328

NC1=NN(c2ccccc2F)C(c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
KIF11 P52732 3/20 0.39
MEN1 O00255 9/20 0.39
KMT2A Q03164 9/20 0.39
ATM Q13315 8/20 0.39
KDM4E B2RXH2 7/20 0.39
GLA P06280 7/20 0.39
MAPT P10636 7/20 0.39
GAA P10253 7/20 0.39
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 5/20 0.39
MAPK1 P28482 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 6/20 0.38
HPGD P15428 5/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TLR9 Q9NR96 1/20 0.38
HSP90AA1 P07900 2/20 0.38

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
SCHEMBL908259 0.89 PRKCZ (0.41) L3MBTL1CA1CA2
SCHEMBL11372777 0.82 MAPT (0.41) LMNAKIF11MEN1KMT2AATM
SCHEMBL11068412 0.80 MEN1 (0.54) LMNAMEN1KMT2AATMKDM4E
SCHEMBL11064115 0.80 MEN1 (0.58) LMNAMEN1KMT2AATMKDM4E
SCHEMBL16139671 0.78 MEN1 (0.40) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL29884104 0.77 MEN1 (0.63) LMNAMEN1KMT2AATMKDM4E
SCHEMBL11095289 0.77 PRKCZ (0.52) LMNAMEN1KMT2AATMKDM4E
SCHEMBL908495 0.75 HSD17B10 (0.39) LMNAMEN1KMT2AKDM4EGLA
SCHEMBL908494 0.74 CA1 (0.56) LMNAMEN1KMT2AKDM4EGLA
SCHEMBL10855110 0.73 ESD (0.53) MEN1KMT2AATMKDM4EGLA

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
US-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases MERCK SHARP & DOHME LIMITED (GB) 2011-01-06 US claimed
EP-1987007-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LTD. (GB) 2008-11-05 EP claimed
WO-2007093829-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LIMITED (GB) 2007-08-23 WO claimed
US-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases MERCK SHARP & DOHME LIMITED (GB) 2011-01-06 US disclosed
EP-1987007-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LTD. (GB) 2008-11-05 EP disclosed
WO-2007093829-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LIMITED (GB) 2007-08-23 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-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases DAO, DDO, MAOA LMNA 3189/4885KIF11 4057/4885MEN1 4442/4885

“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.