SCHEMBL18018949

SCHEMBL18018949

CN1CCN(c2ccc(Nc3nc(Nc4cccc(NC(=O)CCl)c4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.69
JAK2 O60674 2/20 0.69
EGFR P00533 4/20 0.60
JAK3 P52333 4/20 0.60
BTK Q06187 3/20 0.60
JAK1 P23458 1/20 0.60
KCNH2 Q12809 1/20 0.60
PTK2 Q05397 2/20 0.58
SRC P12931 1/20 0.57
TEC P42680 1/20 0.57
SLK Q9H2G2 1/20 0.57
MAP3K7 O43318 2/20 0.53
TTK P33981 2/20 0.50

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
SCHEMBL18018942 0.93 PTK2 (0.61) BRD4JAK2EGFRJAK3BTK
SCHEMBL18018793 0.88 EGFR (0.76) BRD4JAK2EGFRJAK3BTK
SCHEMBL18018878 0.85 EGFR (0.79) JAK2EGFRJAK3BTKJAK1
SCHEMBL4383739 0.82 JAK2 (0.60) BRD4JAK2EGFRJAK3BTK
SCHEMBL18018945 0.81 MAP3K7 (0.78) BRD4JAK2EGFRJAK3BTK
SCHEMBL3024528 0.80 JAK2 (0.65) BRD4JAK2EGFRJAK3BTK
SCHEMBL18018787 0.80 MAP3K7 (0.77) JAK2EGFRJAK3BTKJAK1
SCHEMBL22985858 0.77 PTK2 (0.59) BRD4JAK2EGFRJAK3BTK
SCHEMBL18018944 0.77 SRC (0.69) JAK2EGFRJAK3BTKJAK1
SCHEMBL22985888 0.77 JAK3 (0.73) EGFRJAK3BTKPTK2MAP3K7

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-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 US disclosed
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 EP disclosed
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 EP disclosed
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 US disclosed
WO-2016130920-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-08-18 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-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME LRRK2, PARK7, PINK1 BRD4 2931/4885JAK2 1800/4885EGFR 2819/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 BRD4 2931/4885JAK2 1800/4885EGFR 2819/4885

“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.