SCHEMBL19010256

SCHEMBL19010256

CC(=O)c1nnc(Nc2ccc(N3CCNCC3)cc2)cc1NCc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 6/20 0.51
GAA P10253 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALOX15 P16050 2/20 0.51
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL17021306 0.91 MAPT (0.46) MAPTALDH1A1GAAKDM4EALOX15
SCHEMBL19010265 0.90 MAPT (0.66) MAPTALDH1A1GAAKDM4EALOX15
SCHEMBL19010343 0.83 JAK2 (0.40) ALOX12STAT6FLT3CDK4FGFR1
SCHEMBL17021326 0.83 MAPT (0.64) MAPTALDH1A1GAAKDM4EALOX15
SCHEMBL17021287 0.83 GAA (0.64) MAPTALDH1A1GAAKDM4EALOX15
SCHEMBL19010281 0.82 HRH4 (0.47) ALDH1A1STAT6CDK4FGFR1CCNA2
SCHEMBL19010284 0.80 CDK4 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL19010246 0.78 CDK4 (0.43) CDK4FGFR1CCNA2FGFR2FGFR4
SCHEMBL19010244 0.76 FLT3 (0.49) FLT3CDK4FGFR1CCNA2FGFR2
SCHEMBL19010263 0.75 FLT3 (0.48) FLT3CDK4FGFR1CCNA2FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834548-B2 Pyridazine compounds as JAK inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS ALEXION PHARMACEUTICALS, INC. 2017-06-22 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-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS JAK1, JAK2, JAK3 MAPT 53/4885ALDH1A1 2112/4885GAA 2694/4885

“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.