SCHEMBL21132553

SCHEMBL21132553

O=C(c1cccc(Br)c1)C1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 5/20 0.48
HTT P42858 1/20 0.48
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PARP1 P09874 1/20 0.45
TP53 P04637 1/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43

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
SCHEMBL29723381 1.00 HPGD (0.56) HPGDMAPK1POLBALDH1A1HTT
SCHEMBL21752112 0.85 HPGD (0.48) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL21752111 0.81 PARP1 (0.44) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL27351823 0.80 HPGD (0.51) HPGDPOLBALDH1A1HTTCYP2C19
SCHEMBL4566340 0.80 KMO (0.50) HPGDPOLBALDH1A1HTTCYP2C19
SCHEMBL14650448 0.76 HPGD (0.45) HPGDMAPK1POLBALDH1A1HTT
SCHEMBL169922 0.76 MCL1 (0.49) HPGDPOLBALDH1A1HTTCYP2C19
SCHEMBL1639877 0.75 HSD11B1 (0.57) HPGDALDH1A1MEN1KMT2APARP1
SCHEMBL18707034 0.74 MEN1 (0.59) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL29980474 0.72 GAA (0.48) HPGDPOLBALDH1A1TP53L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081521-B1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LTD (IN) 2025-12-10 EP disclosed
US-12435066-B2 Substituted tricyclic compounds LUPIN LIMITED (IN) 2025-10-07 US disclosed
US-20240208945-A1 6-CARBAMATE SUBSTITUTED HETEROARYL RING DERIVATIVES MEDSHINE DISCOVERY INC. (CN) 2024-06-27 US disclosed
EP-4065575-B1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LTD (IN) 2024-01-31 EP disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
EP-4219493-A1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2023-08-02 EP disclosed
US-20230119316-A1 Substituted Tricyclic Compounds LUPIN LIMITED (IN) 2023-04-20 US disclosed
EP-3728254-B1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-02-15 EP disclosed
US-20230013778-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2023-01-19 US disclosed
EP-4081521-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Lupin Limited (IN) 2022-11-02 EP disclosed
EP-4065575-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Lupin Limited (IN) 2022-10-05 EP disclosed
WO-2022199670-A1 6-CARBAMATE SUBSTITUTED HETEROARYL RING DERIVATIVES 南京明德新药研发有限公司 2022-09-29 WO disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 WO disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 WO disclosed
WO-2021105960-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-06-03 WO disclosed
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-01-14 US disclosed
WO-2020254451-A1 ANTICANCER COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-24 WO disclosed
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-11-10 US disclosed
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-27 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 (8 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-20230013778-A1 SUBSTITUTED TRICYCLIC COMPOUNDS SOS1, RSU1, KSR1 HPGD 3931/4885MAPK1 47/4885POLB 1684/4885
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 HPGD 3837/4885MAPK1 30/4885POLB 4334/4885
US-20240208945-A1 6-CARBAMATE SUBSTITUTED HETEROARYL RING DERIVATIVES CYP3A7, UGT2B7, CYP51A1 HPGD 2710/4885MAPK1 4121/4885POLB 3068/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 HPGD 3877/4885MAPK1 44/4885POLB 4404/4885
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 HPGD 3813/4885MAPK1 38/4885POLB 4281/4885
US-20230119316-A1 Substituted Tricyclic Compounds SOS1, RSU1, KSR1 HPGD 4008/4885MAPK1 52/4885POLB 1789/4885
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 HPGD 3835/4885MAPK1 47/4885POLB 4358/4885
US-12435066-B2 Substituted tricyclic compounds SOS1, RSU1, KSR1 HPGD 3931/4885MAPK1 47/4885POLB 1684/4885

“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.