SCHEMBL558005

SCHEMBL558005

Nc1ccc2cnccc2n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.52
NCF1 P14598 2/20 0.52
NOS2 P35228 2/20 0.52
PLAU P00749 1/20 0.48
NCK1 P16333 1/20 0.45
IMPDH2 P12268 3/20 0.42
GSK3B P49841 1/20 0.41
HASPIN Q8TF76 1/20 0.41
PRKCZ Q05513 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOS1 P29475 1/20 0.41
EGFR P00533 1/20 0.39

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
SCHEMBL28165427 0.98 BACE1 (0.50) BACE1NCF1NOS2PLAUNCK1
SCHEMBL10615118 0.82 BACE1 (0.52) BACE1NCF1NOS2PLAUNCK1
SCHEMBL30695314 0.77 IMPDH2 (0.42) IMPDH2PRKCZLMNACYP1A2CYP3A4
SCHEMBL3064494 0.77 IMPDH2 (0.42) IMPDH2PRKCZLMNACYP1A2CYP3A4
SCHEMBL1899820 0.76 NPC1 (0.47) IMPDH2PRKCZLMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL27831443 0.76 IMPDH2 (0.41) IMPDH2PRKCZLMNACYP1A2CYP3A4
SCHEMBL276050 0.73 PDE3B (0.39) IMPDH2PRKCZLMNACYP1A2CYP3A4
SCHEMBL276051 0.73 KDM4E (0.41) IMPDH2PRKCZ
SCHEMBL20019250 0.73 CYP1A2 (0.35) IMPDH2PRKCZLMNACYP1A2CYP3A4
SCHEMBL4291880 0.73 PDE3B (0.35) IMPDH2HASPINPRKCZLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200035418-A1 PASSIVATION OF DEFECTS IN PEROVSKITE MATERIALS FOR IMPROVED SOLAR CELL EFFICIENCY AND STABILITY NUTECH VENTURES 2020-01-30 US claimed
WO-2018152494-A1 PASSIVATION OF DEFECTS IN PEROVSKITE MATERIALS FOR IMPROVED SOLAR CELL EFFICIENCY AND STABILITY NUTECH VENTURES (US) 2018-08-23 WO claimed
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 EP claimed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO claimed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US claimed
EP-3886904-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-04-22 EP disclosed
EP-4656602-A2 MEMBRANES FOR REMOVING METALLIC SPECIES FROM AMINES Entegris, Inc. (US) 2025-12-03 EP disclosed
US-12459956-B2 Heterobicyclic carboxamides and uses thereof ALCON INC. (CH) 2025-11-04 US disclosed
US-20250325673-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-10-23 US disclosed
EP-4613773-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-3731869-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-07-23 EP disclosed
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-05-22 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
CN-1414952-A Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2003-04-30 CN disclosed
CN-1396833-A Integrin expression inhibitors EISAI CO LTD (JP) 2003-02-12 CN disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 EP disclosed
US-4038391-A TRANQUILIZERS, ANTICONVULSANTS RHONE-POULENC S.A. (FR) 1977-07-26 US disclosed
US-4016274-A TRANQUILIZERS AND ANTICONVULSANT AGENTS RHONE-POULENC S.A. (FR) 1977-04-05 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-20250325673-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 BACE1 759/4885NCF1 2891/4885NOS2 3629/4885
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 BACE1 759/4885NCF1 2891/4885NOS2 3629/4885
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS SYK, BTK, LCK BACE1 3388/4885NCF1 393/4885NOS2 1193/4885
US-12459956-B2 Heterobicyclic carboxamides and uses thereof UACA, PHKG2, CCAR2 BACE1 2843/4885NCF1 2150/4885NOS2 1863/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 BACE1 1341/4885NCF1 2061/4885NOS2 4014/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 BACE1 3606/4885NCF1 2852/4885NOS2 1416/4885

“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.