SCHEMBL2556568

SCHEMBL2556568

OB(O)c1ccccc1OCCN1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
CYP2D6 P10635 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP1A2 P05177 2/20 0.61
HSD17B10 Q99714 1/20 0.61
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.56
DRD1 P21728 4/20 0.56
DRD3 P35462 3/20 0.56
HRH1 P35367 3/20 0.56
DRD4 P21917 2/20 0.56
DRD5 P21918 2/20 0.56
DRD2 P14416 3/20 0.56
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL2560075 0.98 TDP1 (0.65) TDP1CYP2D6CYP2C19CYP1A2HSD17B10
SCHEMBL15330618 0.89 ALDH1A1 (0.56) TDP1CYP2D6CYP2C19CYP1A2HSD17B10
SCHEMBL2559165 0.86 POLB (0.60) TDP1CYP2D6CYP2C19CYP1A2TSHR
SCHEMBL15331415 0.85 KDM4E (0.63) TDP1CYP2D6CYP2C19CYP1A2ALDH1A1
SCHEMBL2557491 0.82 TDP1 (0.52) TDP1CYP2D6CYP2C19CYP1A2HSD17B10
SCHEMBL2562707 0.81 SMN1; SMN2 (0.55) TDP1CYP2D6CYP2C19CYP1A2HSD17B10
SCHEMBL2553669 0.80 SMN1; SMN2 (0.69) TDP1TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL8264564 0.80 TDP1 (1.00) TDP1CYP2D6CYP2C19CYP1A2HSD17B10
SCHEMBL29573150 0.80 TDP1 (0.66) TDP1CYP2D6CYP2C19CYP1A2HSD17B10
SCHEMBL12661473 0.80 POLB (0.73) TDP1CYP2D6CYP2C19CYP1A2HSD17B10

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 11 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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3601267-A1 2-METHYL-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2020-02-05 EP disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
WO-2018172250-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-27 WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 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 TDP1 3853/4885CYP2D6 469/4885CYP2C19 317/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 TDP1 3853/4885CYP2D6 469/4885CYP2C19 317/4885

“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.