SCHEMBL1783282

SCHEMBL1783282

CCOc1cc(N2CCC(N(C)C)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LGMN Q99538 3/20 0.44
ALK Q9UM73 5/20 0.42
GAA P10253 1/20 0.39
RAD52 P43351 1/20 0.39
SSTR5 P35346 1/20 0.38
EGFR P00533 4/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
AURKA O14965 1/20 0.36
INSR P06213 1/20 0.36

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
SCHEMBL1911928 0.92 MAPT (0.43) MAPTALDH1A1KDM4EMEN1POLB
SCHEMBL12862276 0.92 MAPT (0.43) MAPTALDH1A1KDM4EMEN1POLB
SCHEMBL17264109 0.86 MAPT (0.50) MAPTALDH1A1KDM4EMEN1POLB
SCHEMBL310055 0.85 SUV39H2 (0.45) ALDH1A1HSD17B10ALKEGFRAURKA
SCHEMBL29661369 0.85 SUV39H2 (0.45) ALDH1A1HSD17B10ALKEGFRAURKA
SCHEMBL15358735 0.84 MAPT (0.58) MAPTALDH1A1KDM4EMEN1POLB
Hydrochloric Acid SCHEMBL29367159 0.84 SUV39H2 (0.44) ALDH1A1HSD17B10ALKEGFRAURKA
SCHEMBL13906238 0.84 LGMN (0.49) MAPTALDH1A1KDM4EMEN1POLB
SCHEMBL1911970 0.82 MAPT (0.59) MAPTALDH1A1KDM4EMEN1POLB
SCHEMBL1912008 0.82 ALK (0.43) LGMNALKEGFRAURKAINSR

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
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 EP disclosed
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 EP disclosed
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 US disclosed
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 US disclosed
US-20180338973-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2018-11-29 US disclosed
EP-3372594-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF Humanwell Healthcare (Group) Co., Ltd. (CN) 2018-09-12 EP disclosed
WO-2017076355-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2017-05-11 WO disclosed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 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 (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-20180338973-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF ALK, DPYD, TYMP MAPT 3032/4885ALDH1A1 252/4885KDM4E 1026/4885
US-10695347-B2 Pyrimidine derivative and use thereof ALK, DPYD, TYMP MAPT 3032/4885ALDH1A1 252/4885KDM4E 1026/4885
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 MAPT 663/4885ALDH1A1 2972/4885KDM4E 4543/4885

“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.