SCHEMBL188725

SCHEMBL188725

CN1CCN(c2cc[c]cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ADRA2C P18825 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
MAPT P10636 5/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
PTK2B Q14289 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 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
SCHEMBL3584990 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1ADRA2CKDM4EHTR3E
SCHEMBL1901740 0.83 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL1899796 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL1899800 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL1903286 0.81 GAA (0.47) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL188362 0.80 ADRA2C (0.42) ALDH1A1L3MBTL1ADRA2CKDM4EHTR3E
SCHEMBL4113163 0.80 DRD2 (0.51) ALDH1A1L3MBTL1ADRA2CKDM4EHTR3E
SCHEMBL25220513 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EMAPTMAPK1
SCHEMBL8213975 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL20521347 0.79 ALDH1A1 (0.42) ALDH1A1HTR3ADRD2DRD3

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109851602-B 14-deoxy-11,12-dehydro-8,12-epoxy-andrographolide and 15-substituted derivatives thereof 郑州大学 2023-04-11 CN claimed
US-11591329-B2 Bicyclic heterocycles as FGFR inhibitors INCYTE CORPORATION (US) 2023-02-28 US claimed
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis ZHENGZHOU UNIVERSITY (CN) 2022-06-28 US claimed
CN-109771416-B Application of 14-deoxy-11, 12-dehydro-7, 8-ene-andrographolide and 15-subunit substituted derivative 郑州大学 2021-05-11 CN claimed
US-20210047307-A1 ANDROGRAPHOLIDE COMPOUND AND METHOD FOR TREATMENT OR PREVENTION OF FIBROTIC DISEASE USING THE SAME ZHENGZHOU UNIVERSITY (CN) 2021-02-18 US claimed
WO-2021007269-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2021-01-14 WO claimed
US-20210009582-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION 2021-01-14 US claimed
EP-3608313-A1 15-IDENE-14-DEOXY-11,12-DEHYDROANDROGRAPHOLIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARING ANTI-FIBROSIS DRUGS Zhengzhou University (CN) 2020-02-12 EP claimed
US-20200030280-A1 ANDROGRAPHOLIDE DERIVATIVES AND METHOD OF USING THE SAME FOR TREATMENT OR PREVENTION OF FIBROSIS ZHENGZHOU UNIVERSITY (CN) 2020-01-30 US claimed
EP-1945211-B1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2015-10-21 EP claimed
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2012-09-13 US claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
EP-3856348-B1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 AND/OR FGFR MODULATORS INCYTE CORP (US) 2024-01-03 EP disclosed
CN-109851602-B 14-deoxy-11,12-dehydro-8,12-epoxy-andrographolide and 15-substituted derivatives thereof 郑州大学 2023-04-11 CN disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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 (7 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-20200030280-A1 ANDROGRAPHOLIDE DERIVATIVES AND METHOD OF USING THE SAME FOR TREATMENT OR PREVENTION OF FIBROSIS MMP1, CYP27A1, PYGL ALDH1A1 356/4885L3MBTL1 4551/4885ADRA2C 3840/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL ALDH1A1 865/4885L3MBTL1 279/4885ADRA2C 4018/4885
US-11591329-B2 Bicyclic heterocycles as FGFR inhibitors FGFR3, FGFR1, FGFR2 ALDH1A1 802/4885L3MBTL1 3560/4885ADRA2C 4397/4885
US-20210047307-A1 ANDROGRAPHOLIDE COMPOUND AND METHOD FOR TREATMENT OR PREVENTION OF FIBROTIC DISEASE USING THE SAME NR3C2, COL2A1, FIBP ALDH1A1 2625/4885L3MBTL1 1059/4885ADRA2C 1489/4885
US-20210009582-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS FGFR3, FGFR1, FGFR2 ALDH1A1 802/4885L3MBTL1 3560/4885ADRA2C 4397/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT ALDH1A1 433/4885L3MBTL1 4067/4885ADRA2C 1600/4885
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis MMP1, CYP27A1, PYGL ALDH1A1 356/4885L3MBTL1 4551/4885ADRA2C 3840/4885

“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.