SCHEMBL21140258

SCHEMBL21140258

Cc1cn(C(C)(C)C)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FEN1 P39748 1/20 0.35
ELANE P08246 4/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL26597000 0.81 HSP90AA1 (0.39) HTTL3MBTL1NPC1HSP90AA1HPGD
SCHEMBL18232751 0.81 HTR3A (0.34) SLC6A2HTTL3MBTL1NPC1HSP90AA1
SCHEMBL19678808 0.81 KDM4E (0.41) L3MBTL1HPGDKDM4EALDH1A1FEN1
SCHEMBL823082 0.79 DYRK1A (0.50) SLC6A2HTTL3MBTL1NPC1HSP90AA1
SCHEMBL12999395 0.78 SLC6A2 (0.37) SLC6A2HTTL3MBTL1NPC1HSP90AA1
SCHEMBL21140257 0.78 HTR6 (0.41) KDM4EELANE
SCHEMBL7844045 0.77 ELANE (0.57) ELANEKDM4D
SCHEMBL23106830 0.76 L3MBTL1 (0.30) L3MBTL1
SCHEMBL3213880 0.76 SLC6A2 (0.43) SLC6A2HTTL3MBTL1NPC1HSP90AA1
SCHEMBL20674508 0.74 HTT (0.46) SLC6A2HTTL3MBTL1NPC1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2023-11-02 US disclosed
US-11673882-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-13 US disclosed
US-10870636-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US disclosed
US-20190194169-A1 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2019-06-27 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-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB3 SLC6A2 3472/4885HTT 3438/4885L3MBTL1 4204/4885
US-20190194169-A1 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB3 SLC6A2 3564/4885HTT 3361/4885L3MBTL1 4264/4885
US-11673882-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders EGFR, ERBB2, ERBB3 SLC6A2 3037/4885HTT 3061/4885L3MBTL1 4459/4885
US-10870636-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders EGFR, ERBB2, ERBB3 SLC6A2 3037/4885HTT 3061/4885L3MBTL1 4459/4885

“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.