SCHEMBL558306

SCHEMBL558306

Nc1nc(Cl)nc2c(Br)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
ADORA1 P30542 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
BACE1 P56817 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
CHEK1 O14757 1/20 0.34
FLT3 P36888 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
NR4A2 P43354 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL29663394 1.00 HTT (0.46) HTTENPP3ENPP1ADORA1HRH4
SCHEMBL20564658 0.81 HRH4 (0.56) ENPP3ENPP1ADORA1HRH4BACE1
SCHEMBL558543 0.81 ENPP3 (0.47) ENPP3ENPP1ADORA1HRH4BACE1
SCHEMBL2916286 0.81 NR4A2 (0.51) HTTALDH1A1CYP1A2CHEK1FLT3
SCHEMBL30881846 0.78 HRH4 (0.47) ENPP3ENPP1ADORA1HRH4BACE1
SCHEMBL29209692 0.78 HRH4 (0.47) ENPP3ENPP1ADORA1HRH4BACE1
SCHEMBL14391601 0.78 HTT (0.39) HTTALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL5753222 0.78 ENPP3 (0.45) HTTENPP3ENPP1ADORA1HRH4
SCHEMBL19876648 0.78 SMN1; SMN2 (0.41) HTTADORA1ALDH1A1CYP1A2CHEK1
SCHEMBL11606052 0.78 HRH4 (0.44) HTTHRH4ALDH1A1NR4A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC (US) 2026-04-16 US disclosed
EP-3508204-B1 QUINAZOLIN-8-YL DERIVATIVES FOR USE IN METHODS OF TREATING MELANOMA, NON-SMALL CELL LUNG CANCER, THYROID CANCER, OVARIAN CANCER, OR COLON CANCER NEUPHARMA INC (US) 2026-02-11 EP disclosed
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC (US) 2025-09-02 US disclosed
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC 2024-06-20 US disclosed
EP-4302830-A2 QUINAZOLINE DERIVATIVES USED TO TREAT HIV Gilead Sciences, Inc. (US) 2024-01-10 EP disclosed
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2024-01-09 US disclosed
EP-3960735-B1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
EP-3960735-B1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
WO-2023126951-A1 INHIBITORS OF AUTOPHAGY-RELATED PROTEIN-PROTEIN INTERACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-07-06 WO disclosed
WO-2023126951-A1 INHIBITORS OF AUTOPHAGY-RELATED PROTEIN-PROTEIN INTERACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-07-06 WO disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 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 (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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 HTT 3140/4885ENPP3 4402/4885ENPP1 4123/4885
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 HTT 3946/4885ENPP3 1464/4885ENPP1 1488/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 HTT 3140/4885ENPP3 4402/4885ENPP1 4123/4885
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 HTT 3946/4885ENPP3 1464/4885ENPP1 1488/4885
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 HTT 3946/4885ENPP3 1464/4885ENPP1 1488/4885
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY BRAF, TTK, MAP4K2 HTT 2554/4885ENPP3 3500/4885ENPP1 3320/4885

“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.