Sugi Predict

Sugi Predict / Compounds / SCHEMBL9918378

SCHEMBL9918378

SCHEMBL9918378

CC(C)c1ccccc1OCC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NISCH Q9Y2I1 1/20 0.44
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ ADRB2 P07550 2/20 0.40
▸ ADRB1 P08588 2/20 0.40
▸ ADRB3 P13945 2/20 0.40
▸ AR P10275 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ P2RX2 Q9UBL9 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
SCHEMBL9921700 0.84 KDM4E (0.37) KMT2AMEN1L3MBTL1CYP1A2CYP2C9
SCHEMBL171764 0.82 SGMS2 (0.34) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL31391963 0.81 ALOX5AP (0.39) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL17914530 0.81 KMT2A (0.45) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL5198227 0.81 KMT2A (0.47) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL24869124 0.80 ALOX5AP (0.39) KMT2AMEN1L3MBTL1ALDH1A1AR
SCHEMBL18909750 0.80 ALOX5AP (0.39) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL30094656 0.80 ALOX5AP (0.43) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL11869553 0.80 ALOX5AP (0.43) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL18599448 0.79 SGMS2 (0.34) KMT2AMEN1L3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941158-B2 Pyrazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2021-03-09 — — US disclosed
EP-3380478-B1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2020-12-23 — — EP disclosed
US-10800791-B2 Triazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2020-10-13 — — US disclosed
US-20190241582-A1 Triazole ACC inhibitors and uses thereof Nimbus Apollo, Inc. 2019-08-08 — — US disclosed
WO-2017091600-A9 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2018-07-19 — — WO disclosed
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
WO-2017091617-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — WO disclosed
WO-2017091602-A1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — WO disclosed
WO-2017091600-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 KMT2A 774/4885MEN1 888/4885L3MBTL1 4461/4885
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KMT2A 1868/4885MEN1 3829/4885L3MBTL1 2726/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC KMT2A 2761/4885MEN1 4405/4885L3MBTL1 3724/4885
US-20190241582-A1 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 KMT2A 2076/4885MEN1 4222/4885L3MBTL1 2994/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KMT2A 533/4885MEN1 436/4885L3MBTL1 4483/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 KMT2A 2076/4885MEN1 4222/4885L3MBTL1 2994/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KMT2A 628/4885MEN1 440/4885L3MBTL1 4676/4885
US-10941158-B2 Pyrazole ACC inhibitors and uses thereof ACACA, ACACB, PC KMT2A 2761/4885MEN1 4405/4885L3MBTL1 3724/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 KMT2A 2076/4885MEN1 4222/4885L3MBTL1 2994/4885

“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.