SCHEMBL3435152

SCHEMBL3435152

COc1ccc(C=O)cc1OCCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 3/20 0.57
CYP2D6 P10635 2/20 0.57
KDM4E B2RXH2 3/20 0.56
FDPS P14324 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HIF1AN Q9NWT6 1/20 0.53
CYP2C9 P11712 1/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50

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
SCHEMBL30462836 0.95 ALDH1A1 (0.64) ALDH1A1TSHRCYP2D6KDM4EFDPS
SCHEMBL14216877 0.95 ALDH1A1 (0.64) ALDH1A1TSHRCYP2D6KDM4EFDPS
Hydrochloric Acid SCHEMBL5692430 0.94 ALDH1A1 (0.63) ALDH1A1TSHRCYP2D6KDM4EFDPS
SCHEMBL4056455 0.94 ALDH1A1 (0.59) ALDH1A1TSHRKDM4EFDPSTDP1
SCHEMBL29038447 0.90 ACHE (0.58) ALDH1A1TSHRKDM4EFDPSSMN1; SMN2
SCHEMBL29038431 0.89 FDPS (0.57) ALDH1A1TSHRKDM4EFDPSSMN1; SMN2
SCHEMBL29570200 0.89 ALDH1A1 (0.65) ALDH1A1TSHRKDM4EFDPSSMN1; SMN2
SCHEMBL29038405 0.89 ACHE (0.59) ALDH1A1TSHRKDM4EFDPSSMN1; SMN2
SCHEMBL4048998 0.89 ALDH1A1 (0.65) ALDH1A1TSHRKDM4EFDPSSMN1; SMN2
Hydrochloric Acid SCHEMBL5692356 0.88 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EFDPSSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283936-A Substituted amino ether-containing 2, 2-dimethyl benzopyran derivative and salt or solvate thereof, preparation and application thereof, and composition 沈阳药科大学 2023-06-23 CN disclosed
US-11091470-B2 Process for the preparation of N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholinopropoxy) quinazolin-4-amine dihydrochloride NATCO PHARMA LIMITED (IN) 2021-08-17 US disclosed
US-20200331899-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3- MORPHOLINOPROPOXY) QUINAZOLIN -4-AMINE DIHYDROCHLORIDE NATCO PHARMA LIMITED (IN) 2020-10-22 US disclosed
US-9617227-B2 Process of preparing a quinazoline derivative SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2017-04-11 US disclosed
US-20160200688-A1 Process of Preparing a Quinazoline Derivative SCIANDA (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2016-07-14 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
EP-2247596-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS Natco Pharma Limited (IN) 2010-11-10 EP disclosed
WO-2010076810-A2 A PROCESS FOR THE PREPARATION OF GEFITINIB IND-SWIFT LABORATORIES LIMITED (IN) 2010-07-08 WO disclosed
US-20100137586-A1 Process for the Preparation of Gefitinib CIPLA LIMITED (IN) 2010-06-03 US disclosed
US-20100137586-A1 Process for the Preparation of Gefitinib CIPLA LIMITED (IN) 2010-06-03 US disclosed
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 WO disclosed
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 WO disclosed
WO-2005070909-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GEFITINIB NATCO PHARMA LIMITED (IN) 2005-08-04 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 (5 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-20100137586-A1 Process for the Preparation of Gefitinib EGFR, BRAF, KRAS ALDH1A1 2730/4885TSHR 571/4885CYP2D6 158/4885
US-20160200688-A1 Process of Preparing a Quinazoline Derivative ABL1, EGFR, KRAS ALDH1A1 2355/4885TSHR 2894/4885CYP2D6 70/4885
US-11091470-B2 Process for the preparation of N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholinopropoxy) quinazolin-4-amine dihydrochloride MAP7, NQO2, ABL1 ALDH1A1 738/4885TSHR 4668/4885CYP2D6 6/4885
US-20200331899-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3- MORPHOLINOPROPOXY) QUINAZOLIN -4-AMINE DIHYDROCHLORIDE PAH, NQO2, MAP7 ALDH1A1 1252/4885TSHR 4729/4885CYP2D6 15/4885
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS ALDH1A1 309/4885TSHR 4277/4885CYP2D6 491/4885

“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.