SCHEMBL19631249

SCHEMBL19631249

Cc1cnc2ccc(C(C)C)n2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.33
POLB P06746 2/20 0.33
PDE2A O00408 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGFBR1 P36897 2/20 0.32
CLK1 P49759 2/20 0.32
THRB P10828 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
HTR6 P50406 1/20 0.31

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
SCHEMBL23103530 0.85 CYP1A2 (0.50) CYP1A2CYP2C9KDM4EGAAGLA
SCHEMBL18357556 0.76 CYP1A2 (0.47) CYP1A2CYP2C9KDM4EGAAGLA
SCHEMBL13976120 0.74 LMNA (0.39) CYP1A2CYP2C9POLBSMN1; SMN2TGFBR1
SCHEMBL20903418 0.73 CYP1A2 (0.45) CYP1A2CYP2C9KDM4EGAAGLA
SCHEMBL16946872 0.73 CYP1A2 (0.45) CYP1A2CYP2C9KDM4EGAAGLA
SCHEMBL17338963 0.73 PIK3CA (0.43) CYP1A2CYP2C9GAAALDH1A1TGFBR1
SCHEMBL24087021 0.73 TGFBR1 (0.43) KDM4ETGFBR1
SCHEMBL20778278 0.73 POLB (0.51) GAAALDH1A1POLBCLK1
SCHEMBL24919893 0.73 TGFBR1 (0.33) CYP1A2CYP2C9POLBTGFBR1
SCHEMBL25526880 0.73 CYP1A2 (0.49) CYP1A2CYP2C9KDM4EGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246466-B2 Diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2019-04-02 US disclosed
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2017-11-23 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 (2 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-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 CYP1A2 4482/4885CYP2C9 4221/4885KDM4E 1402/4885
US-10246466-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 CYP1A2 4482/4885CYP2C9 4221/4885KDM4E 1402/4885

“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.