SCHEMBL3176187

SCHEMBL3176187

O=c1[nH]cnc2cc(F)cc(F)c12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.59
IP6K1 Q92551 2/20 0.42
PDPK1 O15530 2/20 0.42
IP6K3 Q96PC2 1/20 0.42
CHEK1 O14757 3/20 0.39
CA12 O43570 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA9 Q16790 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
RAB9A P51151 1/20 0.39
PIM1 P11309 2/20 0.39
ALDH1A1 P00352 1/20 0.39
AKT1 P31749 1/20 0.39
FLT3 P36888 1/20 0.39
PIM3 Q86V86 1/20 0.39
RPS6KA3 P51812 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
SCHEMBL29717535 1.00 PARP1 (0.59) PARP1IP6K1PDPK1IP6K3CHEK1
SCHEMBL18954101 0.82 PARP1 (0.56) PARP1IP6K1PDPK1IP6K3CHEK1
SCHEMBL30013911 0.82 PARP1 (0.56) PARP1IP6K1PDPK1IP6K3CHEK1
SCHEMBL30353912 0.78 PARP1 (0.44) PARP1IP6K1PDPK1IP6K3CHEK1
SCHEMBL30988805 0.78 PARP1 (0.51) PARP1IP6K1PDPK1CHEK1SMN1; SMN2
SCHEMBL25151125 0.78 PARP1 (0.51) PARP1IP6K1PDPK1IP6K3CHEK1
SCHEMBL2798284 0.78 PARP1 (0.51) PARP1IP6K1PDPK1CHEK1SMN1; SMN2
SCHEMBL15710544 0.78 PARP1 (0.44) PARP1IP6K1PDPK1IP6K3CHEK1
Hydrochloric Acid SCHEMBL28100847 0.77 PARP1 (0.43) PARP1IP6K1PDPK1IP6K3CHEK1
SCHEMBL20547006 0.76 PARP1 (0.42) PARP1IP6K1PDPK1IP6K3CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 WO disclosed
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 US disclosed
US-20240166660-A1 KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2024-05-23 US disclosed
CN-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed
WO-2024059169-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2024-03-21 WO disclosed
EP-3740480-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-03-06 EP disclosed
CN-110573505-B C 5 -anilinoquinazoline compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-04-11 CN disclosed
EP-3615522-B1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2021-08-04 EP disclosed
EP-3740480-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP disclosed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
WO-2004056812-A1 4- (PYRIDIN-4-YLAMINO) -QUINAZOLINE DERIVATIVES AS ANTI-TUMOR AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004056801-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 WO disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 WO disclosed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 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-20240166660-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1226/4885IP6K1 1013/4885PDPK1 640/4885
US-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PARP1 31/4885IP6K1 219/4885PDPK1 59/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK PARP1 31/4885IP6K1 219/4885PDPK1 59/4885

“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.