SCHEMBL18018887

SCHEMBL18018887

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2S(C)(=O)=O)c2nc[nH]c2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.76
▸ IGF1R P08069 13/20 0.76
▸ INSR P06213 13/20 0.76
▸ EGFR P00533 7/20 0.66
▸ PTK2 Q05397 4/20 0.66
▸ PTK2B Q14289 4/20 0.66
▸ STK10 O94804 3/20 0.66
▸ ABL1 P00519 3/20 0.66
▸ LCK P06239 3/20 0.66
▸ FYN P06241 3/20 0.66
▸ FES P07332 3/20 0.66
▸ YES1 P07947 3/20 0.66
▸ HCK P08631 3/20 0.66
▸ ROS1 P08922 3/20 0.66
▸ FER P16591 3/20 0.66
▸ LTK P29376 3/20 0.66
▸ FLT3 P36888 3/20 0.66
▸ FRK P42685 3/20 0.66
▸ BTK Q06187 3/20 0.66
▸ CAMK2G Q13555 3/20 0.66

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
SCHEMBL18018865 0.91 TTK (0.68) ALKIGF1RINSREGFRPTK2
SCHEMBL18018897 0.90 ALK (0.63) ALKIGF1RINSREGFRPTK2
SCHEMBL22985880 0.89 ALK (0.63) ALKIGF1RINSREGFRPTK2
SCHEMBL24327559 0.88 ALK (0.60) ALKIGF1RINSREGFRPTK2
SCHEMBL3952863 0.86 ALK (0.75) ALKIGF1RINSREGFRPTK2
SCHEMBL13395587 0.86 ALK (0.85) ALKIGF1RINSREGFRPTK2
SCHEMBL19867180 0.84 ALK (0.75) ALKIGF1RINSREGFRPTK2
SCHEMBL18018886 0.84 TTK (0.63) ALKIGF1RINSREGFRPTK2
SCHEMBL19921184 0.84 ALK (0.74) ALKIGF1RINSREGFRPTK2
SCHEMBL18018796 0.84 TTK (0.80) ALKIGF1RINSREGFRPTK2

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 ALK 4666/4885IGF1R 2793/4885INSR 3775/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 ALK 4666/4885IGF1R 2793/4885INSR 3775/4885

“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.

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