SCHEMBL29793878

SCHEMBL29793878

NCCNC(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 11/20 0.64
▸ TGM2 P21980 1/20 0.63
▸ NT5E P21589 1/20 0.57
▸ FUT5 Q11128 1/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.54
▸ TAS1R1 Q7RTX1 1/20 0.54
▸ P2RY6 Q15077 2/20 0.53
▸ P2RY2 P41231 1/20 0.53
▸ P2RY4 P51582 1/20 0.53
▸ ENPP1 P22413 2/20 0.52
▸ P2RY1 P47900 2/20 0.52
▸ P2RY12 Q9H244 1/20 0.52
▸ HINT1 P49773 2/20 0.52
▸ P2RX1 P51575 1/20 0.51
▸ P2RX3 P56373 1/20 0.51
▸ P2RY11 Q96G91 1/20 0.51
▸ P2RX4 Q99571 1/20 0.51

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
SCHEMBL29657998 0.99 KRAS (0.65) KRASTGM2NT5EFUT5TAS1R3
SCHEMBL17824390 0.94 TAS1R3 (0.61) KRASTGM2NT5ETAS1R3TAS1R1
SCHEMBL30576907 0.94 KRAS (0.65) KRASTGM2NT5EFUT5TAS1R3
SCHEMBL30037364 0.90 TGM2 (0.66) KRASTGM2NT5EFUT5TAS1R3
SCHEMBL23176397 0.86 TGM2 (0.70) KRASTGM2NT5EFUT5P2RY6
SCHEMBL21067995 0.86 TGM2 (0.70) KRASTGM2NT5EFUT5P2RY6
SCHEMBL21256201 0.86 TGM2 (0.70) KRASTGM2NT5EFUT5P2RY6
SCHEMBL4308355 0.86 TGM2 (0.70) KRASTGM2NT5EFUT5P2RY6
SCHEMBL234673 0.86 TGM2 (0.70) KRASTGM2NT5EFUT5P2RY6
SCHEMBL877839 0.86 TGM2 (0.70) KRASTGM2NT5EFUT5P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016899-A1 SPIROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-01-23 — — WO disclosed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 — — US disclosed
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES BAYER AG (DE) 2023-01-26 — — US disclosed
CN-115315424-A 2-methyl-aza-quinazolines 拜耳公司 2022-11-08 — — CN disclosed
US-20220274979-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-01 — — US disclosed
EP-4045505-A1 2-METHYL-AZA-QUINAZOLINES Bayer Aktiengesellschaft (DE) 2022-08-24 — — EP disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 — — 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 (4 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 KRAS 2/4885TGM2 2603/4885NT5E 4165/4885
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT KRAS 145/4885TGM2 2682/4885NT5E 1345/4885
US-20220274979-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT KRAS 116/4885TGM2 2752/4885NT5E 1477/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 KRAS 2/4885TGM2 2603/4885NT5E 4165/4885

“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.

Send feedback