SCHEMBL20440643

SCHEMBL20440643

O=c1[nH]cnc2cc(I)c(I)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.62
CHEK1 O14757 2/20 0.53
PIM1 P11309 2/20 0.53
ALDH1A1 P00352 1/20 0.53
AKT1 P31749 1/20 0.53
FLT3 P36888 1/20 0.53
PIM3 Q86V86 1/20 0.53
RPS6KA3 P51812 1/20 0.53
MKNK1 Q9BUB5 1/20 0.51
PDPK1 O15530 1/20 0.50
CA12 O43570 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA9 Q16790 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
IP6K1 Q92551 5/20 0.49
SLC2A1 P11166 1/20 0.47
KDM4A O75164 1/20 0.46
KDM4B O94953 1/20 0.46
KDM5C P41229 1/20 0.46

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
SCHEMBL29663248 0.85 PARP1 (0.60) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL15890151 0.85 PARP1 (0.56) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL24625467 0.85 PARP1 (0.60) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL15890147 0.85 PARP1 (0.56) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL7980156 0.81 SRC (0.57) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL17137468 0.81 SRC (0.54) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL5431530 0.80 PARP1 (0.56) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL144026 0.77 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL216176 0.77 PARP1 (1.00) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL29701199 0.77 PARP1 (1.00) PARP1CHEK1PIM1ALDH1A1AKT1

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-10196383-B2 Substituted quinazoline compounds and preparation and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-02-05 US disclosed
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-08-02 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-10196383-B2 Substituted quinazoline compounds and preparation and uses thereof HCRTR1, HCRTR2, NPY5R PARP1 3285/4885CHEK1 3864/4885PIM1 4472/4885
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF HCRTR1, HCRTR2, NPY5R PARP1 3285/4885CHEK1 3864/4885PIM1 4472/4885

“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.