SCHEMBL4177216

SCHEMBL4177216

O=C(NC1CC1)c1ccc(I)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
MAPT P10636 1/20 0.57
HPGD P15428 2/20 0.56
SMYD3 Q9H7B4 3/20 0.54
DPP4 P27487 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
LMNA P02545 1/20 0.51

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
SCHEMBL3087085 0.92 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14817965 0.92 NPC1 (0.67) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12768314 0.91 NPC1 (0.70) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL20460442 0.91 NPC1 (0.70) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL4514709 0.88 CYP1A2 (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2144491 0.85 CYP1A2 (0.61) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14818046 0.84 CYP1A2 (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1477302 0.82 RAB9A (0.65) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6569206 0.82 RAB9A (0.65) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13708645 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
WO-2008075070-A1 SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 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 (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-20090105305-A1 Therapeutic Agents - 550 FABP4, GPR119, FASN RAB9A 3554/4885NPC1 233/4885SMN1; SMN2 2999/4885

“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.