SCHEMBL9920180

SCHEMBL9920180

Cc1cccc(C(c2nccn2C)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
OPRK1 P41145 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.34
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
FFAR1 O14842 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33

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
SCHEMBL696487 0.85 KDM4E (0.50) KDM4EOPRK1CYP2D6MAPTALDH1A1
SCHEMBL12874998 0.82 KDM4E (0.50) KDM4EOPRK1CYP2D6MAPTALDH1A1
SCHEMBL9918372 0.81 KDM4E (0.45) KDM4ECYP2D6MAPTALDH1A1LMNA
SCHEMBL1160513 0.81 KDM4E (0.49) KDM4EOPRK1CYP2D6MAPTALDH1A1
SCHEMBL4065140 0.71 KDM4E (0.52) KDM4ECYP2D6MAPTALDH1A1LMNA
SCHEMBL1160947 0.71 VDR (0.41) KDM4EOPRK1CYP2D6MAPTALDH1A1
SCHEMBL3401057 0.69 KDM4E (0.67) KDM4EOPRK1CYP2D6MAPTALDH1A1
Toluene SCHEMBL28782370 0.69 KDM4E (0.61) KDM4ECYP2D6MAPTALOX15HSD17B10
SCHEMBL11004608 0.69 BRD4 (0.42) MAPTALDH1A1HSD17B10BRD4PSEN1
Hydrochloric Acid SCHEMBL29054527 0.68 KDM4E (0.65) KDM4ECYP2D6MAPTALDH1A1LMNA

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 KDM4E 449/4885OPRK1 2835/4885CYP2D6 1751/4885

“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.