Sugi Predict

Sugi Predict / Compounds / SCHEMBL17458853

SCHEMBL17458853

SCHEMBL17458853

C=CCNc1cc(Nc2cccc(OCC=C)c2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ EGFR P00533 9/20 0.47
▸ ERBB3 P21860 5/20 0.47
▸ GAA P10253 2/20 0.43
▸ TNNI3K Q59H18 1/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ERBB2 P04626 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 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
SCHEMBL17458810 0.84 EGFR (0.51) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL8798563 0.81 EGFR (0.66) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL27337227 0.79 JAK3 (0.50) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL9723595 0.75 GAA (0.52) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL3661946 0.70 GAA (0.53) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL1520719 0.69 MEN1 (0.50) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL2175076 0.68 EGFR (0.70) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL7775630 0.67 EGFR (0.54) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL23121252 0.66 GAA (0.62) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL7777479 0.66 EGFR (0.53) NPC1RAB9AMEN1KMT2AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 — — EP disclosed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 — — EP disclosed
US-20200338087-A9 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 — — US disclosed
US-20200338087-A9 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 — — US disclosed
US-20190343842-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-14 — — US disclosed
US-20190343842-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-14 — — US disclosed
US-10457691-B2 Macrocyclic kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-29 — — US disclosed
US-10457691-B2 Macrocyclic kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-29 — — US disclosed
EP-3536323-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS Dana Farber Cancer Institute, Inc. (US) 2019-09-11 — — EP disclosed
EP-3536323-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS Dana Farber Cancer Institute, Inc. (US) 2019-09-11 — — EP disclosed
US-20170224700-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-10 — — US disclosed
US-20170204116-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-20 — — US disclosed
US-20170204116-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-20 — — US disclosed
US-20170204116-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-20 — — US disclosed
EP-3177295-A2 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS Dana Farber Cancer Institute, Inc. (US) 2017-06-14 — — EP disclosed
EP-3172213-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2017-05-31 — — EP disclosed
WO-2016023014-A2 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-11 — — WO disclosed
WO-2016023014-A2 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-11 — — WO disclosed
WO-2016014551-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-01-28 — — WO disclosed
WO-2016014551-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-01-28 — — 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 (5 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-10457691-B2 Macrocyclic kinase inhibitors and uses thereof MAP3K20, MAP4K2, MAP3K1 NPC1 1296/4885RAB9A 2079/4885MEN1 1989/4885
US-20190343842-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS SIK1, SIK3, SIK2 NPC1 3704/4885RAB9A 2450/4885MEN1 4807/4885
US-20170204116-A1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF MAP3K20, MAP4K2, MAP3K1 NPC1 1296/4885RAB9A 2079/4885MEN1 1989/4885
US-20170224700-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS SIK1, SIK2, SIK3 NPC1 3667/4885RAB9A 2322/4885MEN1 4725/4885
US-20200338087-A9 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS SIK1, SIK3, SIK2 NPC1 3704/4885RAB9A 2450/4885MEN1 4807/4885

“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.