SCHEMBL20061156

SCHEMBL20061156

COc1cc2c(cc1[N+](=O)[O-])CCC(N1CCN(C(=O)C(F)(F)F)CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
THRB P10828 1/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TRPV6 Q9H1D0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CD O00329 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2061200 0.84 ESR1 (0.51) MAPTLMNAHTTMEN1KMT2A
SCHEMBL20061134 0.84 ESR1 (0.40) KMT2AESR1ESR2ALDH1A1TRPV6
SCHEMBL20061133 0.80 HTT (0.43) MAPTLMNAHTTMEN1KMT2A
SCHEMBL24729529 0.79 ESR1 (0.57) MAPTLMNAHTTMEN1KMT2A
SCHEMBL18760000 0.79 ESR1 (0.57) MAPTLMNAHTTMEN1KMT2A
SCHEMBL29791407 0.79 ESR1 (0.57) MAPTLMNAHTTMEN1KMT2A
SCHEMBL2731342 0.78 FAAH (0.37) MAPTLMNAMEN1KMT2AESR1
SCHEMBL2060771 0.74 HTT (0.46) MAPTLMNAHTTMEN1KMT2A
SCHEMBL31155406 0.73 TYRO3 (0.41) ALDH1A1KDM4EPIK3CD
SCHEMBL721253 0.72 ESR1 (0.51) MAPTLMNAHTTESR1ESR2

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 MAPT 2210/4885LMNA 2158/4885HTT 2654/4885
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 MAPT 2210/4885LMNA 2158/4885HTT 2654/4885

“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.