SCHEMBL21455062

SCHEMBL21455062

CC(C)c1ccc2c(c1)OCC1COCCN21

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 19/20 0.42
KRAS P01116 1/20 0.40
SOS1 Q07889 1/20 0.40

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
SCHEMBL16440168 0.82 AAK1 (0.43) AAK1KRASSOS1
SCHEMBL20867824 0.81 AAK1 (0.41) AAK1KRASSOS1
SCHEMBL25591369 0.80 SOS1 (0.41) KRASSOS1
SCHEMBL21455348 0.79 AAK1 (0.51) AAK1KRASSOS1
SCHEMBL17076642 0.79 AAK1 (0.51) AAK1KRASSOS1
SCHEMBL20868007 0.79 AAK1 (0.51) AAK1KRASSOS1
SCHEMBL16437282 0.78 AAK1 (0.46) AAK1KRASSOS1
SCHEMBL22387666 0.76 AAK1 (0.43) AAK1
SCHEMBL22270895 0.76 AAK1 (0.42) AAK1
SCHEMBL21469114 0.74 ALDH1A1 (0.39) AAK1KRASSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968234-B2 Compound containing tricyclic heteroaryl group HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
US-20200354376-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2020-11-12 US disclosed
US-10730887-B2 Compound containing tricyclic heteroaryl group HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2020-08-04 US disclosed
US-20190308993-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2019-10-10 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 (4 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-20190308993-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP JAK3, ERBB3, CDK3 AAK1 732/4885KRAS 345/4885SOS1 888/4885
US-10968234-B2 Compound containing tricyclic heteroaryl group JAK3, ERBB3, CDK3 AAK1 713/4885KRAS 293/4885SOS1 887/4885
US-20200354376-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP JAK3, ERBB3, CDK3 AAK1 713/4885KRAS 293/4885SOS1 887/4885
US-10730887-B2 Compound containing tricyclic heteroaryl group JAK3, ERBB3, CDK3 AAK1 732/4885KRAS 345/4885SOS1 888/4885

“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.