SCHEMBL20061137

SCHEMBL20061137

COc1cc2c(cc1N)CCC(=O)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.38
ALK Q9UM73 2/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CHEK1 O14757 2/20 0.33
PARP1 P09874 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL20061173 0.94 S100B (0.38) S100BALKALDH1A1CYP3A4TDP1
SCHEMBL20004206 0.83 ALK (0.38) ALKALDH1A1HSD17B10L3MBTL1KMT2A
SCHEMBL897012 0.81 HTR2A (0.45) ALKTSHR
SCHEMBL897525 0.81 ALK (0.43) ALKALDH1A1TSHRGAAPKM
SCHEMBL897888 0.80 TAAR1 (0.39) ALKALDH1A1TSHRHSD17B10KMT2A
SCHEMBL7812922 0.78 ALK (0.43) ALKALDH1A1KMT2AHTTLMNA
SCHEMBL897548 0.78 CA9 (0.43) ALKALDH1A1CYP3A4HSD17B10KMT2A
SCHEMBL27087561 0.78 CHEK1 (0.38) ALKALDH1A1LMNAMAPTCHEK1
SCHEMBL29940534 0.78 ALK (0.38) ALKALDH1A1TDP1TSHRKMT2A
SCHEMBL29940794 0.78 CHEK1 (0.38) ALKALDH1A1LMNAMAPTCHEK1

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-10369149-B2 4-(2-amino-tetrahydronaphthalenyl)pyrimidine derivative, preparation method therefor, and pharmaceutical composition for preventing or treating cancer, containing same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-08-06 US disclosed
US-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 US disclosed
US-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 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-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 S100B 4456/4885ALK 1/4885ALDH1A1 950/4885
US-10369149-B2 4-(2-amino-tetrahydronaphthalenyl)pyrimidine derivative, preparation method therefor, and pharmaceutical composition for preventing or treating cancer, containing same as active ingredient ALK, NPM1, EML4 S100B 4456/4885ALK 1/4885ALDH1A1 950/4885

“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.