SCHEMBL9918337

SCHEMBL9918337

C=C1COc2ccc(C(C)C)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.41
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
PARP1 P09874 3/20 0.38
ACLY P53396 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL14804032 0.87 KCNH2 (0.35) MMP12RAF1BRAFALDH1A1MAPT
SCHEMBL9920485 0.81 MMP12 (0.64) MMP12RAF1BRAFPARP1ACLY
SCHEMBL12689382 0.78 MMP12 (0.65) MMP12PARP1ALDH1A1MAPTKDM4E
SCHEMBL17660596 0.75 LMNA (0.33) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL12928758 0.74 MMP12 (0.41) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL69977 0.73 MAPT (0.40) MMP12ALDH1A1MAPTLMNAHTT
SCHEMBL9924217 0.71 HPGD (0.40) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL10095220 0.71 ALOX5 (0.48) MMP12PARP1KMT2ANPSR1
SCHEMBL14072147 0.71 PARP1 (0.48) MMP12PARP1ALDH1A1MAPT
SCHEMBL9918340 0.71 KDM4E (0.34) ALDH1A1KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-9266892-B2 Fused pyrazoles as FGFR inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-23 US disclosed
US-20140171405-A1 Fused Pyrazoles as FGFR Inhibitors INCYTE CORPORATION (US) 2014-06-19 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 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 (6 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 MMP12 1666/4885RAF1 235/4885BRAF 156/4885
US-20140171405-A1 Fused Pyrazoles as FGFR Inhibitors FGFR1, FGFR3, FGFR2 MMP12 3126/4885RAF1 65/4885BRAF 121/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 MMP12 926/4885RAF1 688/4885BRAF 566/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MMP12 1550/4885RAF1 62/4885BRAF 50/4885
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 MMP12 3455/4885RAF1 2392/4885BRAF 3595/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MMP12 1674/4885RAF1 63/4885BRAF 43/4885

“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.