SCHEMBL21135589

SCHEMBL21135589

CC1CCN(Cc2ccc3nc(NC(=O)c4ccc(F)cc4)n(C4CCC(C(=O)NC(C)C)CC4)c3c2)CC1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.88
▸ INSR P06213 2/20 0.84
▸ LCK P06239 2/20 0.84
▸ LTK P29376 2/20 0.84
▸ AXL P30530 2/20 0.84
▸ IRAK1 P51617 2/20 0.84
▸ MAP4K2 Q12851 2/20 0.84
▸ MERTK Q12866 2/20 0.84
▸ NTRK1 P04629 1/20 0.84
▸ FLT3 P36888 1/20 0.84
▸ SPR P35270 2/20 0.74

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
SCHEMBL23915691 1.00 ALK (0.88) ALKINSRLCKLTKAXL
SCHEMBL24046489 0.94 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL21759921 0.94 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL23810121 0.92 ALK (0.90) ALKINSRLCKLTKAXL
SCHEMBL23810096 0.92 ALK (0.90) ALKINSRLCKLTKAXL
SCHEMBL21206279 0.91 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL19328244 0.91 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL24046243 0.91 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL19328243 0.91 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL21135595 0.88 ALK (0.69) ALKINSRLCKLTKAXL

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-20210315999-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2021-10-14 — — US disclosed
WO-2019113071-A1 COMPOSITIONS AND METHODS FOR TREATING ALK-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-06-13 — — 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 (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-20210315999-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE MUSK, ERBB2, NTRK1 ALK 140/4885INSR 2131/4885LCK 88/4885

“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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