SCHEMBL3574444

SCHEMBL3574444

Cc1cc(C)n(-c2cccc(F)n2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
TSHR P16473 3/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 5/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
ALOX15 P16050 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 3/20 0.42
MAPK1 P28482 2/20 0.42
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.42
PTPN7 P35236 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL38661515 0.87 MAPT (0.77) MAPTTSHRHSD17B10SMN1; SMN2KDM4E
SCHEMBL21143617 0.79 MAPT (0.66) MAPTTSHRHSD17B10SMN1; SMN2KDM4E
SCHEMBL1555999 0.79 MAPT (0.66) MAPTTSHRHSD17B10SMN1; SMN2KDM4E
SCHEMBL22621630 0.77 MAPT (0.62) MAPTTSHRHSD17B10SMN1; SMN2KDM4E
SCHEMBL3577000 0.76 POLB (0.62) MAPTKDM4ELMNAALOX15TP53
SCHEMBL28270307 0.76 MAPT (0.60) MAPTTSHRHSD17B10SMN1; SMN2KDM4E
SCHEMBL28499231 0.74 MAPT (0.59) MAPTTSHRHSD17B10SMN1; SMN2KDM4E
SCHEMBL3579791 0.74 MAPT (0.58) MAPTTSHRKDM4EHTTLMNA
SCHEMBL3577746 0.73 MAPT (0.57) MAPTTSHRSMN1; SMN2KDM4EHTT
SCHEMBL24305893 0.73 MAPT (0.57) MAPTTSHRHSD17B10SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2022-04-21 US disclosed
WO-2020223136-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2020-11-05 WO disclosed
US-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S 2010-02-11 US disclosed
EP-2114916-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-11-11 EP disclosed
WO-2008092942-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-08-07 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 (2 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-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNA3, KCNQ1 MAPT 1538/4885TSHR 2420/4885HSD17B10 3595/4885
US-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA2 MAPT 609/4885TSHR 468/4885HSD17B10 1900/4885

“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.