SCHEMBL898436

SCHEMBL898436

CC1(C)c2ccccc2C(=O)c2c1[nH]c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.46
MAOA P21397 1/20 0.42
MEN1 O00255 1/20 0.40
CDK14 O94921 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
MAPT P10636 1/20 0.40
CDK4 P11802 1/20 0.40
SRC P12931 1/20 0.40
CCNB1 P14635 1/20 0.40
CTRB1 P17538 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK11B P21127 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.40
AHR P35869 1/20 0.40
CDK8 P49336 1/20 0.40
GSK3A P49840 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
SCHEMBL30786729 1.00 ALK (0.46) ALKMAOAMEN1CDK14CCNB2
SCHEMBL23422208 0.89 ALDH1A1 (0.39) ALKCCNB2CDK1MAPTCCNB1
SCHEMBL7809841 0.84 ALK (0.50) ALK
SCHEMBL897700 0.83 ALK (0.65) ALKGSK3AGSK3BCDK5CDK5R1
SCHEMBL897599 0.81 ALK (0.56) ALK
SCHEMBL29962607 0.81 ALK (0.56) ALK
SCHEMBL18252767 0.81 ALK (0.52) ALKMAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL29962794 0.81 ALK (0.57) ALKMEN1CCNB2CDK1MAPT
SCHEMBL898181 0.81 ALK (0.57) ALKMEN1CCNB2CDK1MAPT
Bruceolline E SCHEMBL31277758 0.80 CHEK1 (0.47) MEN1CCNB2CDK1MAPTCDK4

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-12257245-B2 Methods and compositions for inhibition of EGF/EGFR pathway in combination with anaplastic lymphoma kinase inhibitors IN3BIO LTD. (BM) 2025-03-25 US disclosed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed
US-20200046690-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF EGF/EGFR PATHWAY IN COMBINATION WITH ANAPLASTIC LYMPHOMA KINASE INHIBITORS Withers Bergman LLP 2020-02-13 US disclosed
US-9126931-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-09-08 US disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 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 (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-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885MAOA 2275/4885MEN1 994/4885

“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.