SCHEMBL24535306

SCHEMBL24535306

O=C(c1cc2n(n1)CCCNC2)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
PARP1 P09874 1/20 0.41
LDHA P00338 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
GNE Q9Y223 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL24536073 0.89 HTR2A (0.41) HTR2AHTR2CPARP1LDHAALDH1A1
SCHEMBL24535311 0.89 HPGD (0.42) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL32660944 0.88 HPGD (0.41) HTR2AHTR2CALDH1A1MAPTMEN1
SCHEMBL22831695 0.84 PDCD1 (0.36) POLBKDM4E
SCHEMBL23653232 0.82 CXCR4 (0.36) PDK1PDK2
SCHEMBL22887771 0.82 CHRNB2 (0.38) PARP1
SCHEMBL30793436 0.81 CHRNB2 (0.35) HTR2AHTR2CALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL25335409 0.81 CHRNB2 (0.37) PARP1
Hydrochloric Acid SCHEMBL25335404 0.80 CHRNB2 (0.36)
SCHEMBL31739506 0.79 CHRNA4 (0.34) HTR2AHTR2CPARP1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472980-A2 QUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2024-12-11 EP disclosed
CN-118660880-A Quinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2024-09-17 CN disclosed
US-20240025907-A1 QUINAZOLINE PAN-KRas INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-01-25 US disclosed
US-20240025907-A1 QUINAZOLINE PAN-KRas INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-01-25 US disclosed
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
CN-116829151-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2023-09-29 CN disclosed
WO-2023150284-A2 QUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-08-10 WO disclosed
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. 2022-06-23 US disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 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 (2 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-20240025907-A1 QUINAZOLINE PAN-KRas INHIBITORS KRAS, NRAS, HRAS HTR2A 4682/4885HTR2C 3925/4885PARP1 336/4885
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS HTR2A 4695/4885HTR2C 4531/4885PARP1 96/4885

“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.