SCHEMBL1549990

SCHEMBL1549990

Clc1ncnc2c1CCN(Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
LIMK1 P53667 1/20 0.50
PNMT P11086 1/20 0.48
C5AR1 P21730 1/20 0.47
MEN1 O00255 2/20 0.47
MKNK1 Q9BUB5 4/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL4077130 0.90 SIGMAR1 (0.49) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL30767848 0.89 KMT2A (0.53) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL322777 0.89 KMT2A (0.53) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL2532723 0.87 SIGMAR1 (0.43) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL4079977 0.84 LIMK1 (0.49) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL14111444 0.84 LIMK1 (0.49) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL4982960 0.84 LIMK1 (0.61) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL12386805 0.83 P2RX7 (0.50) KMT2AKDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL4982981 0.83 LIMK1 (0.48) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL5772203 0.81 LIMK1 (0.46) KMT2AKDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118480029-A 2-Aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-08-13 CN disclosed
CN-115677729-A AAK1 inhibitors 武汉人福创新药物研发中心有限公司 2023-02-03 CN disclosed
WO-2022106897-A2 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS 2692372 ONTARIO, INC. (CA) 2022-05-27 WO disclosed
CN-108431001-B Fused ring pyrimidine compound or salt thereof 大鹏药品工业株式会社 2021-09-17 CN disclosed
EP-3381916-B1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2020-04-15 EP disclosed
US-10370372-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-08-06 US disclosed
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-05-28 US disclosed
US-20180312505-A1 FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 US disclosed
EP-3150599-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-10-24 EP disclosed
EP-3381916-A1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-03 EP disclosed
EP-1363899-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-11-26 EP disclosed
US-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 US disclosed
US-20030191143-A1 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 US disclosed
US-20030092908-A1 Fused heterocyclic inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-05-15 US disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 US disclosed
WO-2002087513-A2 FUSED HETEROCYCLIC INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-07 WO disclosed
WO-2002053558-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMAN-LA ROCHE AG (CH) 2002-07-11 WO disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 US disclosed
US-6103738-A Quinoline and quinazoline compounds useful in therapy PFIZER INC. (US) 2000-08-15 US disclosed
EP-0877734-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RES & DEV (IE) 2000-07-12 EP 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 (7 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-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B KMT2A 3518/4885KDM4E 3553/4885ALDH1A1 875/4885
US-20030092908-A1 Fused heterocyclic inhibitors of phosphodiesterase (PDE) 7 PDE3A, PDE5A, PDE3B KMT2A 1054/4885KDM4E 495/4885ALDH1A1 806/4885
US-20180312505-A1 FUSED PYRIMIDINE COMPOUND OR SALT THEREOF AR, NR5A1, FSHR KMT2A 1117/4885KDM4E 2033/4885ALDH1A1 1909/4885
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof NR5A1, CYP17A1, DPYD KMT2A 1083/4885KDM4E 2393/4885ALDH1A1 309/4885
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B KMT2A 2003/4885KDM4E 2989/4885ALDH1A1 514/4885
US-20030191143-A1 Fused heterocyclic compounds and use thereof NFATC1, MCL1, BCR KMT2A 1178/4885KDM4E 2667/4885ALDH1A1 380/4885
US-10370372-B2 Fused pyrimidine compound or salt thereof AR, NR5A1, FSHR KMT2A 1117/4885KDM4E 2033/4885ALDH1A1 1909/4885

“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.