Sugi Predict

Sugi Predict / Compounds / SCHEMBL252216

SCHEMBL252216

SCHEMBL252216

Nc1ccc2cnccc2c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 1.00
▸ LMNA P02545 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ AXL P30530 1/20 0.53
▸ EP300 Q09472 1/20 0.44
▸ KAT2B Q92831 1/20 0.44
▸ KAT8 Q9H7Z6 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ PRKCZ Q05513 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ CLK1 P49759 2/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL3714977 0.84 IMPDH2 (0.72) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL6832863 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL30481278 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL31629068 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7843617 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1705663 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2162254 0.76 IMPDH2 (1.00) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL3716490 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL29828616 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL15201623 0.76 IMPDH2 (0.61) IMPDH2LMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 — — EP disclosed
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 — — EP disclosed
US-9604997-B2 Peri-carbinols ALDEYRA THERAPEUTICS, INC. (US) 2017-03-28 — — US disclosed
US-9604997-B2 Peri-carbinols ALDEYRA THERAPEUTICS, INC. (US) 2017-03-28 — — US disclosed
CN-102448941-B The isoquinilone derivatives replaced D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2016-04-06 — — CN disclosed
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 — — EP disclosed
US-20150344432-A1 PERI-CARBINOLS Ricerca Biosciences, LLC 2015-12-03 — — US disclosed
US-20150344432-A1 PERI-CARBINOLS Ricerca Biosciences, LLC 2015-12-03 — — US disclosed
CN-105073714-A Peri-carbinols ALDEXA THERAPEUTICS INC 2015-11-18 — — CN disclosed
EP-2935220-A1 PERI-CARBINOLS Aldeyra Therapeutics, Inc. (US) 2015-10-28 — — EP disclosed
WO-2014100425-A1 PERI-CARBINOLS ALDEXA THERAPEUTICS, INC. (US) 2014-06-26 — — WO disclosed
EP-2585461-A1 2,4- DIARYL - SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER Merck Patent GmbH (DE) 2013-05-01 — — EP disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US disclosed
CN-102448941-A Substituted isoquinoline derivatives WESTERN THERAPEUTICS INST INC D 2012-05-09 — — CN disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 — — EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 — — US disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 — — WO disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 — — 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 (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-20150344432-A1 PERI-CARBINOLS PLIN1, PLIN3, PLIN5 IMPDH2 2233/4885LMNA 2059/4885CYP1A2 794/4885
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 IMPDH2 702/4885LMNA 1798/4885CYP1A2 715/4885
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 IMPDH2 822/4885LMNA 1580/4885CYP1A2 2809/4885

“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.