SCHEMBL20009341

SCHEMBL20009341

Cc1cc(C(C)C)c2cccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 1/20 0.40
IGF1R P08069 2/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 5/20 0.37
DHODH Q02127 1/20 0.35
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR9 Q9NR96 1/20 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
SCHEMBL19249763 0.83 PIP4K2C (0.40) PIP4K2CCCR1CCR8LMNANPC1
SCHEMBL1577560 0.81 LMNA (0.46) PIP4K2CIGF1RCCR1CCR8LMNA
SCHEMBL19250465 0.79 PIP4K2C (0.38) PIP4K2CCCR1CCR8LMNAL3MBTL1
SCHEMBL14227400 0.78 CYP1A2 (0.52) IGF1RCCR1CCR8LMNANPC1
SCHEMBL1577375 0.78 PIP4K2C (0.39) PIP4K2CCCR1CCR8LMNANPC1
SCHEMBL8274147 0.76 L3MBTL1 (0.39) PIP4K2CCCR1CCR8LMNANPC1
SCHEMBL13107475 0.76 NR4A2 (0.55) IGF1RCCR1CCR8LMNANPC1
SCHEMBL20468588 0.75 ALDH1A1 (0.43) IGF1RCCR1CCR8LMNANPC1
SCHEMBL31375166 0.75 NCF1 (0.55) IGF1RCCR1CCR8LMNANPC1
SCHEMBL31354830 0.75 HSP90AA1 (0.43) IGF1RCCR1CCR8LMNANPC1

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-10479770-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-11-19 US disclosed
US-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057805-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 WO 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-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PI4KA PIP4K2C 31/4885IGF1R 269/4885CCR1 4410/4885
US-10479770-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, PI4KA PIP4K2C 31/4885IGF1R 269/4885CCR1 4410/4885

“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.