SCHEMBL12993444

SCHEMBL12993444

NC(=O)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.68
▸ TUBB4A P04350 2/20 0.68
▸ TUBB P07437 2/20 0.68
▸ TUBA3C P0DPH7 2/20 0.68
▸ TUBA1B P68363 2/20 0.68
▸ TUBA4A P68366 2/20 0.68
▸ TUBB4B P68371 2/20 0.68
▸ TUBB3 Q13509 2/20 0.68
▸ TUBB2A Q13885 2/20 0.68
▸ TUBB8 Q3ZCM7 2/20 0.68
▸ TUBA3E Q6PEY2 2/20 0.68
▸ TUBA1A Q71U36 2/20 0.68
▸ TUBA1C Q9BQE3 2/20 0.68
▸ TUBB6 Q9BUF5 2/20 0.68
▸ TUBB2B Q9BVA1 2/20 0.68
▸ TUBB1 Q9H4B7 2/20 0.68
▸ ABL1 P00519 1/20 0.68
▸ LYN P07948 1/20 0.68
▸ BCR P11274 1/20 0.68
▸ NPC1 O15118 1/20 0.56

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
SCHEMBL254273 0.90 TUBB4A (0.72) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30727814 0.87 TUBB4A (0.68) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL155785 0.87 TUBB4A (0.68) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12158775 0.82 NPC1 (0.62) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10132862 0.82 TUBB4A (0.73) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10085622 0.82 SRC (0.59) SRCTUBB4ATUBBTUBA3CTUBA1B
Tirbanibulin SCHEMBL153779 0.81 TUBB4A (1.00) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10132860 0.81 TUBB4A (0.71) SRCTUBB4ATUBBTUBA3CTUBA1B
Tirbanibulin SCHEMBL29386081 0.81 TUBB4A (1.00) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1395845 0.81 LTA4H (0.61) NPC1RAB9AGAASMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11752156-B2 Compositions and methods for treating hyperproliferative skin disorders Athenex HK Innovative Limited (HK) 2023-09-12 — — US disclosed
US-20210038608-A1 Compositions and Methods for Treating Hyperproliferative Skin Disorders SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2021-02-11 — — US disclosed
US-7851470-B2 Composition and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-12-14 — — US disclosed
US-7851470-B2 Composition and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-12-14 — — US disclosed
WO-2008082637-A9 COMPOSITION AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2008-09-18 — — WO disclosed
US-20080221102-A1 Composition and methods for modulating a kinase cascade SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2008-09-11 — — US disclosed
US-20080221102-A1 Composition and methods for modulating a kinase cascade SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2008-09-11 — — US disclosed
WO-2008082637-A1 COMPOSITION AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-07-10 — — 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 (3 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-20080221102-A1 Composition and methods for modulating a kinase cascade MAP3K4, MAP3K6, MAP3K3 SRC 82/4885TUBB4A 2746/4885TUBB 2407/4885
US-11752156-B2 Compositions and methods for treating hyperproliferative skin disorders CCND1, PRKD1, CCND3 SRC 13/4885TUBB4A 81/4885TUBB 64/4885
US-20210038608-A1 Compositions and Methods for Treating Hyperproliferative Skin Disorders CCND1, PRKD1, CCND3 SRC 13/4885TUBB4A 81/4885TUBB 64/4885

“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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