SCHEMBL21287623

SCHEMBL21287623

CCC1(C(=O)O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.58
LMNA P02545 1/20 0.54
OPRL1 P41146 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
CYP3A4 P08684 3/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SIGMAR1 Q99720 3/20 0.52
TSHR P16473 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
OPRM1 P35372 2/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL4631263 0.86 CYP2D6 (0.56) CYP2D6OPRL1CHRM2CHRM3CYP3A4
SCHEMBL21287577 0.85 KMT2A (0.57) CYP2D6LMNACYP3A4POLBALDH1A1
Hydrochloric Acid SCHEMBL20212096 0.84 POLB (0.56) CYP2D6OPRL1CHRM2CHRM3CYP3A4
Hydrochloric Acid SCHEMBL26107522 0.84 POLB (0.56) CYP2D6LMNAOPRL1CHRM2CHRM3
SCHEMBL16579978 0.84 CYP2D6 (0.55) CYP2D6OPRL1CHRM2CHRM3CYP3A4
Hydrochloric Acid SCHEMBL5766139 0.83 POLB (0.55) CYP2D6OPRL1CHRM2CHRM3CYP3A4
SCHEMBL1269458 0.81 CYP2D6 (0.61) CYP2D6OPRL1CHRM2CHRM3CYP3A4
SCHEMBL19779408 0.80 KMT2A (0.53) CYP2D6LMNACYP3A4POLBALDH1A1
SCHEMBL1771293 0.80 KDM4E (0.53) CYP2D6LMNAOPRL1CHRM2CHRM3
SCHEMBL4630748 0.80 CYP2D6 (0.61) CYP2D6OPRL1CHRM2CHRM3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753941-B1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO LTD (CN) 2024-05-01 EP disclosed
CN-115448923-B Pyrimidine-fused ring compound, preparation method and application thereof 上海青煜医药科技有限公司 2024-03-22 CN disclosed
CN-115448923-A Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-12-09 CN disclosed
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-11-15 US disclosed
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-11-15 US disclosed
CN-110156786-B Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-06-03 CN disclosed
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 US disclosed
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 US disclosed
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 EP disclosed
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 EP disclosed
CN-110156786-A Pyrimido-cyclic compounds, process for their preparation and their use 上海青煜医药科技有限公司 2019-08-23 CN disclosed
WO-2019158019-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海青煜医药科技有限公司 2019-08-22 WO 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-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof PTPN11, PPM1F, PTPRF CYP2D6 2083/4885LMNA 4714/4885OPRL1 4423/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF CYP2D6 2083/4885LMNA 4714/4885OPRL1 4423/4885

“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.