SCHEMBL3595867

SCHEMBL3595867

Cc1cc2c(CNc3ccc(F)cc3C)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 7/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CG P48736 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ABCB11 O95342 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL3601446 0.84 LRRK2 (0.37) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3596432 0.79 MAPT (0.59) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3595864 0.72 VCP (0.50) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3588746 0.70 MAPT (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3601281 0.70 LRRK2 (0.43) MAPTLMNAGAA
SCHEMBL14531557 0.69 DAO (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6987658 0.68 CYP1A2 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5728764 0.68 GAA (0.46) MAPTALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL14319823 0.67 HTT (0.43) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL14319825 0.65 CYP3A4 (0.49) MAPTALDH1A1MAPK1MEN1KMT2A

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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US claimed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP claimed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 WO claimed
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US disclosed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP disclosed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS GPBAR1, GPER1, ADRB1 MAPT 3054/4885ALDH1A1 558/4885MAPK1 614/4885

“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.