SCHEMBL2850796

SCHEMBL2850796

CCC(=O)c1ccc(OC)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGDS O60760 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CA9 Q16790 1/20 0.42
HSP90AB1 P08238 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL27848363 0.88 MAPT (0.47) HMGCRMEN1KMT2AHPGDSCA9
SCHEMBL27605516 0.84 HMGCR (0.47) HMGCRMEN1KMT2AHPGDSCA9
SCHEMBL5307288 0.84 HMGCR (0.50) HMGCRMEN1KMT2ACA9NPC1
SCHEMBL27581775 0.82 MEP1B (0.43) HMGCRHSP90AB1
SCHEMBL12845087 0.81 ALDH1A1 (0.50) MEN1KMT2AHPGDSMRGPRX4CA9
SCHEMBL1961466 0.81 MAPT (0.55) HPGDSMRGPRX4CA9KDM4ERAB9A
SCHEMBL27778788 0.80 CYP1A2 (0.46) MEN1KMT2AHPGDSMRGPRX4KDM4E
SCHEMBL4463232 0.79 KDM4E (0.46) KMT2ACA9KDM4ENPC1RAB9A
SCHEMBL2400582 0.79 MAPT (0.41) MEN1KMT2AHPGDSMRGPRX4KDM4E
SCHEMBL6118090 0.79 LMNA (0.44) MEN1KMT2AHPGDSMRGPRX4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A HMGCR 2296/4885MEN1 2935/4885KMT2A 1528/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A HMGCR 1450/4885MEN1 2515/4885KMT2A 1733/4885
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 HMGCR 4493/4885MEN1 3611/4885KMT2A 1472/4885

“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.