SCHEMBL2040347

SCHEMBL2040347

O=C(c1c[nH]c2cccc(F)c12)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
GPR84 Q9NQS5 2/20 0.47
FFAR1 O14842 1/20 0.47
PIM3 Q86V86 1/20 0.46
HTR2A P28223 2/20 0.44
ALB P02768 1/20 0.41
IL2 P60568 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
NR4A2 P43354 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
AHR P35869 1/20 0.39
IGF1R P08069 1/20 0.38
SRC P12931 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 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
SCHEMBL10165367 0.86 GPR84 (0.46) MAPK1GPR84FFAR1HTR2AALB
SCHEMBL849137 0.83 MAPK1 (0.58) MAPK1GPR84PIM3NR4A2HTR1D
SCHEMBL29051448 0.83 MAPK1 (0.58) MAPK1GPR84PIM3HTR2ANR4A2
SCHEMBL3676955 0.83 NR4A2 (0.60) MAPK1GPR84PIM3NR4A2HTR1D
SCHEMBL2034897 0.81 GPR84 (0.51) GPR84FFAR1HTR2AALBIL2
SCHEMBL23160620 0.80 GPR84 (0.50) MAPK1GPR84FFAR1HTR2AALB
SCHEMBL16234666 0.80 PBRM1 (0.54) MAPK1GPR84FFAR1HTR2AALB
SCHEMBL10321304 0.80 ALDH1A1 (0.54) MAPK1GPR84FFAR1PIM3HTR2A
SCHEMBL1558360 0.79 HTR2A (0.49) GPR84FFAR1HTR2AALBIL2
SCHEMBL10078403 0.79 HTR2A (0.49) MAPK1GPR84FFAR1HTR2AALB

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
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2021-04-08 US disclosed
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2021-04-08 US disclosed
CN-108026073-B Fluoroindole derivatives as muscarinic M1 receptor positive allosteric modulators 苏文生命科学有限公司 2020-09-22 CN disclosed
CN-111566100-A Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2020-08-21 CN disclosed
EP-3347349-B1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2019-09-18 EP disclosed
EP-3347349-B1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2019-09-18 EP disclosed
WO-2019154177-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF 恩瑞生物医药科技(上海)有限公司 2019-08-15 WO disclosed
WO-2019154177-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF 恩瑞生物医药科技(上海)有限公司 2019-08-15 WO disclosed
US-10294217-B2 Fluoroindole derivatives as muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2019-05-21 US disclosed
US-10294217-B2 Fluoroindole derivatives as muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2019-05-21 US disclosed
US-20180244655-A1 Fluoroindole Derivatives as Muscarinic M1 Receptor Positive Allosteric Modulators SUVEN LIFE SCIENCES LIMITED (IN) 2018-08-30 US disclosed
EP-3347349-A1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Suven Life Sciences Limited (IN) 2018-07-18 EP disclosed
WO-2017042643-A1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2017-03-16 WO disclosed
WO-2017042643-A1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2017-03-16 WO disclosed
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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 (4 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-10294217-B2 Fluoroindole derivatives as muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM3 MAPK1 1050/4885GPR84 69/4885FFAR1 74/4885
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 MAPK1 3381/4885GPR84 589/4885FFAR1 2143/4885
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF CDK9, CDK19, CDK6 MAPK1 520/4885GPR84 3385/4885FFAR1 4687/4885
US-20180244655-A1 Fluoroindole Derivatives as Muscarinic M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, CHRM3 MAPK1 1050/4885GPR84 69/4885FFAR1 74/4885

“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.