Sugi Predict

Sugi Predict / Compounds / SCHEMBL2489128

SCHEMBL2489128

SCHEMBL2489128

c1cnc(-c2cc3ccccc3[nH]2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ GSK3B P49841 1/20 0.56
▸ CYP19A1 P11511 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ SENP8 Q96LD8 2/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ SENP6 Q9GZR1 2/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL30337474 1.00 ITK (0.57) ITKRAB9ANPC1GSK3BCYP19A1
SCHEMBL28221040 0.85 RAB9A (0.53) ITKRAB9ANPC1GSK3BCYP19A1
SCHEMBL28399450 0.83 RAB9A (0.61) ITKRAB9ANPC1GSK3BCYP19A1
SCHEMBL4778165 0.81 GSK3B (0.50) ITKRAB9ANPC1GSK3BCYP19A1
SCHEMBL308319 0.81 GSK3B (0.61) ITKRAB9ANPC1GSK3BCYP19A1
SCHEMBL29470995 0.81 GSK3B (0.61) ITKRAB9ANPC1GSK3BCYP19A1
SCHEMBL29631691 0.80 RAB9A (0.74) ITKRAB9ANPC1GSK3BCYP19A1
SCHEMBL374022 0.80 RAB9A (0.74) ITKRAB9ANPC1GSK3BCYP19A1
SCHEMBL5179280 0.80 ITK (0.61) ITKRAB9ANPC1GSK3BCYP19A1
SCHEMBL4780727 0.79 RIPK1 (0.59) ITKRAB9ANPC1GSK3BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751187-B Indolyl pyrimidine dual-targeting inhibitor, preparation method and application thereof 西南交通大学 2024-03-19 — — CN claimed
CN-116751187-A Indolyl pyrimidine dual-targeting inhibitor, preparation method and application thereof 西南交通大学 2023-09-15 — — CN claimed
CN-119173504-A Piperidone derivative or salt thereof, pest control agent containing the same, and method for using the same 株式会社艾迪科 2024-12-20 — — CN disclosed
US-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2024-12-12 — — US disclosed
CN-116751187-B Indolyl pyrimidine dual-targeting inhibitor, preparation method and application thereof 西南交通大学 2024-03-19 — — CN disclosed
CN-116751187-B Indolyl pyrimidine dual-targeting inhibitor, preparation method and application thereof 西南交通大学 2024-03-19 — — CN disclosed
CN-116751187-B Indolyl pyrimidine dual-targeting inhibitor, preparation method and application thereof 西南交通大学 2024-03-19 — — CN disclosed
CN-114507218-B Indole piperidine pyrimidine derivative and preparation method and application thereof 武汉工程大学 2024-01-16 — — CN disclosed
EP-3753937-B1 ATR INHIBITOR AND APPLICATION THEREOF WUXI BIOCITY BIOPHARMACEUTICS CO LTD (CN) 2024-01-10 — — EP disclosed
CN-116751187-A Indolyl pyrimidine dual-targeting inhibitor, preparation method and application thereof 西南交通大学 2023-09-15 — — CN disclosed
CN-116751187-A Indolyl pyrimidine dual-targeting inhibitor, preparation method and application thereof 西南交通大学 2023-09-15 — — CN disclosed
EP-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 — — EP disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 — — US disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 — — US disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 — — WO disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 — — WO disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 — — US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 — — US disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 — — EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 — — 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK ITK 525/4885RAB9A 4057/4885NPC1 4005/4885
US-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF EGFR, ERBB2, ERBB3 ITK 3027/4885RAB9A 1452/4885NPC1 4555/4885
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 ITK 830/4885RAB9A 851/4885NPC1 349/4885

“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.