SCHEMBL3847571

SCHEMBL3847571

Cc1nc(Cl)nc(Cl)c1N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL18520396 0.86 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRKDM4EMEN1
SCHEMBL2072565 0.80 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRKDM4EMEN1
SCHEMBL9830230 0.79 KMT2A (0.37) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9178364 0.79 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6474069 0.79 CDK1 (0.35) ALDH1A1ALOX15TSHRKDM4EMEN1
SCHEMBL3444583 0.72 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRKDM4EMEN1
SCHEMBL1703281 0.72 LMNA (0.45) ALDH1A1ALOX15TSHRKDM4EMEN1
SCHEMBL801870 0.72 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL23234853 0.72 KDM4E (0.33) ALDH1A1KDM4ELMNAGLAHPGD
SCHEMBL22716008 0.70 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
WO-2025056065-A1 CHEMOKINE RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION, AND USE 上海医药集团股份有限公司 2025-03-20 WO disclosed
CN-119638669-A Chemokine receptor antagonist, pharmaceutical composition and application 上海医药集团股份有限公司 2025-03-18 CN disclosed
CN-118946360-A Bicyclic heteroarenes and methods of use thereof 奇尼塔公司 2024-11-12 CN disclosed
EP-4444317-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
WO-2024146541-A1 MACROCYCLIC COMPOUNDS AS USP1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2024-07-11 WO disclosed
WO-2024123968-A1 RNA TARGETING COMPOUNDS AND USES THEREOF RANAR THERAPEUTICS, INC. (US) 2024-06-13 WO disclosed
WO-2024123968-A1 RNA TARGETING COMPOUNDS AND USES THEREOF RANAR THERAPEUTICS, INC. (US) 2024-06-13 WO disclosed
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 US disclosed
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 US disclosed
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 US disclosed
EP-2100894-A1 Pyridopyrimidines used as Plk1 (polo-like kinase) inhibitors 4SC AG (DE) 2009-09-16 EP disclosed
WO-2009082526-A2 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-07-02 WO disclosed
WO-2009082526-A2 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-07-02 WO disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 US disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 US disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 US 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 (4 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-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION CCR1, CCR4, CCR3 ALDH1A1 931/4885ALOX15 1204/4885TSHR 1685/4885
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 ALDH1A1 895/4885ALOX15 610/4885TSHR 3199/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS ALDH1A1 3126/4885ALOX15 3098/4885TSHR 4241/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885ALOX15 1639/4885TSHR 3747/4885

“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.