SCHEMBL2673705

SCHEMBL2673705

C[C@H](O)c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.72
MLKL Q8NB16 3/20 0.66
CYP1A2 P05177 1/20 0.62
ALDH1A1 P00352 2/20 0.61
POLB P06746 2/20 0.61
ALOX12 P18054 1/20 0.59
TAAR1 Q96RJ0 1/20 0.58
ALOX15 P16050 1/20 0.58
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL2674618 1.00 IDO1 (0.72) IDO1MLKLCYP1A2ALDH1A1POLB
SCHEMBL250817 1.00 IDO1 (0.72) IDO1MLKLCYP1A2ALDH1A1POLB
SCHEMBL29537224 1.00 IDO1 (0.72) IDO1MLKLCYP1A2ALDH1A1POLB
Hydrochloric Acid SCHEMBL29537578 0.98 IDO1 (0.70) IDO1MLKLCYP1A2ALDH1A1POLB
Hydrochloric Acid SCHEMBL28705652 0.98 IDO1 (0.70) IDO1MLKLCYP1A2ALDH1A1POLB
SCHEMBL15221577 0.85 IDO1 (0.79) IDO1MLKLALDH1A1POLBALOX12
SCHEMBL7101160 0.85 IDO1 (0.79) IDO1MLKLALDH1A1POLBALOX12
SCHEMBL4921708 0.84 IDO1 (1.00) IDO1MLKLALDH1A1POLBALOX12
SCHEMBL7946544 0.84 IDO1 (0.78) IDO1MLKLALDH1A1POLBALOX12
SCHEMBL2147079 0.84 ALDH1A1 (0.66) IDO1MLKLALDH1A1POLBALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-11-21 US disclosed
EP-4382527-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2024-06-12 EP disclosed
CN-117769548-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-03-26 CN disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 WO disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 WO disclosed
US-9540366-B2 Ring-fused heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-01-10 US disclosed
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-08 US disclosed
EP-2881394-A1 CONDENSED RING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-06-10 EP disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme AGOURON PHARMACEUTICALS, INC. 2005-07-07 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 (5 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-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF FAR1, ACAD11, ACOX1 IDO1 522/4885MLKL 411/4885CYP1A2 688/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD IDO1 2132/4885MLKL 3770/4885CYP1A2 743/4885
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND TRPV1, TRPV2, TRPV3 IDO1 2590/4885MLKL 2154/4885CYP1A2 2734/4885
US-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme CHEK1, CHEK2, RAD1 IDO1 1493/4885MLKL 553/4885CYP1A2 3569/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD IDO1 2028/4885MLKL 3835/4885CYP1A2 702/4885

“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.