SCHEMBL18562045

SCHEMBL18562045

COc1cc(-c2cccc3[nH]c(-c4n[nH]c5ccccc45)nc23)cc(OC)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.53
▸ PRKCZ Q05513 7/20 0.53
▸ CDK4 P11802 7/20 0.51
▸ CCNA2 P20248 7/20 0.51
▸ CCND1 P24385 7/20 0.51
▸ CCND3 P30281 7/20 0.51
▸ CHEK1 O14757 2/20 0.51
▸ KDR P35968 2/20 0.51
▸ FGFR1 P11362 3/20 0.50
▸ FLT1 P17948 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ TYK2 P29597 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ ITK Q08881 1/20 0.49
▸ WNT1 P04628 4/20 0.48
▸ TGFBR1 P36897 4/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ CLK3 P49761 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48

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
SCHEMBL17251722 0.91 CDK2 (0.53) CDK2PRKCZCDK4CCNA2CCND1
SCHEMBL18576291 0.85 CDK2 (0.48) CDK2PRKCZCDK4CCNA2CCND1
SCHEMBL18562042 0.83 DHODH (0.55) —
SCHEMBL18562043 0.81 PDGFRB (0.49) CDK2CDK4CCNA2CCND1KDR
SCHEMBL5952843 0.77 CDK2 (0.64) CDK2PRKCZCDK4CCNA2CCND1
SCHEMBL18562032 0.77 CDK2 (0.56) CDK2PRKCZCDK4CCNA2CCND1
SCHEMBL5508107 0.76 CDK4 (0.60) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5523694 0.76 CDK2 (0.52) CDK2PRKCZCDK4CCNA2CCND1
SCHEMBL5952685 0.74 FGFR1 (0.63) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL18562044 0.74 MGAM (0.49) CDK2PRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981915-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-05-29 — — US disclosed
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2018-05-03 — — US disclosed
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2017-03-02 — — 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 (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-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 CDK2 298/4885PRKCZ 2364/4885CDK4 197/4885
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 CDK2 298/4885PRKCZ 2364/4885CDK4 197/4885

“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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