SCHEMBL9967112

SCHEMBL9967112

Brc1ccc2oc(C3CC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HDAC4 P56524 2/20 0.49
MPO P05164 1/20 0.48
XDH P47989 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
XBP1 P17861 1/20 0.38
HIF1A Q16665 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL30082438 1.00 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL29780552 0.91 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL20304414 0.91 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL14242768 0.89 MPO (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL20334767 0.89 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL29780581 0.87 HDAC4 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL20304436 0.87 HDAC4 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL20304443 0.87 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL29780578 0.87 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL29780575 0.85 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485281-B FGFR and mutation inhibitor thereof, and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-11-21 CN disclosed
US-20230303575-A1 FGFR AND MUTATION INHIBITOR THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303575-A1 FGFR AND MUTATION INHIBITOR THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-09-28 US disclosed
CN-116096720-A Dihydropyrrolo [2,3-d ] pyridazin-7-one derivatives, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-05-09 CN disclosed
EP-4169922-A1 FGFR AND MUTATION INHIBITOR THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-04-26 EP disclosed
CN-115867547-A 1H-pyrazole-4-amide derivative, and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-28 CN disclosed
CN-115485281-A FGFR and mutation inhibitor thereof, and preparation method and application thereof 上海和誉生物医药科技有限公司 2022-12-16 CN disclosed
WO-2022042612-A1 DIHYDROPYRROLO[2,3-D]PYRIDAZIN-7-ONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-03-03 WO disclosed
WO-2022033532-A1 FGFR AND MUTATION INHIBITOR THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 WO disclosed
US-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 US disclosed
US-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-11 US disclosed
EP-2968233-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2016-01-20 EP disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
WO-2014159224-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 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 (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-20230303575-A1 FGFR AND MUTATION INHIBITOR THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF FGFR3, FGFR1, FGFR4 RAB9A 3048/4885NPC1 2173/4885SMN1; SMN2 4222/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 RAB9A 2252/4885NPC1 350/4885SMN1; SMN2 4388/4885
US-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 RAB9A 4026/4885NPC1 1393/4885SMN1; SMN2 3271/4885

“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.