SCHEMBL12788678

SCHEMBL12788678

Cc1ccc(NCCC(C)(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.41
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.38
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH4 Q9H3N8 2/20 0.33

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
SCHEMBL12697198 0.79 RRM2 (0.46) SLC22A12HDAC1HDAC6HDAC8HDAC5
SCHEMBL20037762 0.78 MAPT (0.43) SLC22A12HDAC1HDAC6HDAC8HDAC5
SCHEMBL25650053 0.78 STK17A (0.42) SLC22A12HDAC1HDAC6HDAC8HDAC5
SCHEMBL9347587 0.78 NPSR1 (0.40) SLC22A12HDAC1HDAC6HDAC8HDAC5
SCHEMBL14197601 0.76 RRM2 (0.48) HDAC1HDAC6HDAC8KCNQ3KCNQ2
SCHEMBL18698969 0.76 HDAC1 (0.43) SLC22A12HDAC1HDAC6HDAC8HDAC5
SCHEMBL13423753 0.75 RAB9A (0.50) HDAC1HDAC6HDAC8GAANPC1
SCHEMBL5308535 0.75 MAPT (0.43) GAAMAPTKDM4ENPC1ALDH1A1
SCHEMBL3632606 0.75 ADRA2A (0.50) SLC22A12HDAC1HDAC6HDAC8KCNQ3
SCHEMBL14234945 0.74 NPSR1 (0.43) SLC22A12HDAC1HDAC6KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
US-8288540-B2 2-heteroarylamino-pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2012-10-16 — — US disclosed
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — 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 (1 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-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS FYN, LCK, ERBB2 SLC22A12 3482/4885HDAC1 1835/4885HDAC6 1000/4885

“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.

Send feedback