SCHEMBL4447693

SCHEMBL4447693

CC(N)c1cccc2c1CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
SLC9A1 P19634 5/20 0.37
SLC9A5 Q14940 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
MTNR1B P49286 4/20 0.37
MTNR1A P48039 2/20 0.37
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
KIF11 P52732 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
SCHEMBL24469522 1.00 HTR2A (0.41) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL29793765 1.00 HTR2A (0.41) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL29042936 0.98 ALDH1A1 (0.41) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL22836841 0.98 ALDH1A1 (0.41) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL22836840 0.98 ALDH1A1 (0.41) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL9910076 0.85 HTR2C (0.39) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL19682349 0.82 SLC9A1 (0.37) HTR2AHTR2CHTR2BSLC9A1SLC9A5
SCHEMBL19682593 0.79 SLC9A1 (0.39) HTR2AHTR2CHTR2BSLC9A1SLC9A5
SCHEMBL20889391 0.79 SLC9A1 (0.39) HTR2AHTR2CHTR2BSLC9A1SLC9A5
SCHEMBL6948697 0.78 MTNR1B (0.35) HTR2AHTR2CHTR2BSLC9A1SLC9A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
EP-3601267-A1 2-METHYL-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2020-02-05 EP disclosed
WO-2018172250-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-27 WO disclosed
EP-0819000-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2009-07-08 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
CN-1184423-A Nodulisporic acid derivatives MERCK & CO INC (US) 1998-06-10 CN disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 HTR2A 2059/4885HTR2C 907/4885HTR2B 2796/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 HTR2A 2059/4885HTR2C 907/4885HTR2B 2796/4885

“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.